88950-64-5 (N-Boc-1-氨基环丙甲酸,1-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid)

CAS号:
88950-64-5
中文名称:
N-Boc-1-氨基环丙甲酸
英文名称:
1-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid
分子式:
C9H15NO4
分子量:
201.219702959061

N-Boc-1-氨基环丙甲酸(88950-64-5)名称与标识符

名称

中文别名:
N-Boc-1-氨基环丙甲酸;Boc-1-氨基环丙基甲酸;1-(叔丁氧羰基氨基)环丙烷甲酸;1-(Boc-氨基)环丙基甲酸;1-(Boc-氨基)环丙基甲酸及合成技术;1-(Boc-氨基)环丙烷甲酸;1-BOC-氨基环丙烷羧酸;Boc-1-氨基环丙基甲酸,1-(Boc-amino)cyclopropanecarboxylic acid;Boc-1-氨基环丙烷羧酸;N-Boc-1-氨基环丙烷羧酸;
英文别名:
1-(Boc-Amino)cyclopropanecarboxylic acid;BOC-1-Amino-1-cyclopropanecarboxylic acid;1-[(Tert-butoxycarbonyl)amino]cyclopropanecarboxylic acid;1-(tert-butoxycarbonyl)cyclopropanecarboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid;Boc-1-aminocyclopropane-1-carboxylic acid;Boc-ACPC-OH;N-BOC-1-AMINOCYCLOPROPANECARBOXYLIC ACID;1-[N-(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid;N-tert-Butoxycarbonyl 1-amino-1-cyclopropanecarboxylic acid;1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylicacid;1-tert-Butoxycarbonylamino-cyclopropanecarboxylic acid;1-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid;1-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopropanecarboxylic acid (ACI);1-((tert-Butoxycarbonyl)amino)cyclopropan-1-carboxylic acid;1-(Tert-Butoxycarbonylamino)cyclopropanecarboxylic acid;1-[[(tert-Butoxy)carbonyl]amino]cyclopropane-1-carboxylic acid;1-[(Tert-Butoxycarbonyl)Amino]Cyclopropanecarboxylic Acid,97%;B-4651;1-Aminocyclopropane-1-carboxylic acid, N-BOC protected;1-(Boc-amino)cyclopropane-1-carboxylic acid;1-(t-Butyloxycarbonyl-amino)-cyclopropyl-1-carboxylic acid;DB-032333;1-(Boc-amino)cyclopropanecarboxylic acid, 98.0%;1-(t-butoxycarbonylamino)-1-cyclopropane-carboxylic acid;1-(Boc-amino)cyclopropanecarboxylic acid, >=98.0% (TLC);PS-6017;Maybridge3_006209;1-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acid;88950-64-5;MFCD00083257;1-tert-butoxycarbonylaminocyclopropanecarboxylic acid;Z1263583545;IDI1_017596;SY002604;Boc-AC3C-OH;DSKCOVBHIFAJRI-UHFFFAOYSA-N;1-(N-tert-butoxycarbonylamino)cyclopropanecarboxylic acid;BCP19190;CS-W002346;STL555728;1-((t-butoxycarbonyl)amino)cyclopropane-1-carboxylic acid;Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-;DB-005656;1-tert-butoxycarbonylaminocyclopropylcarboxylic acid;1-tert-butoxycarbonylamino-1-cyclopropanecarboxylic acid;1-((tert-butoxycarbonyl)amino)cyclopropane-carboxylic acid;AKOS005146484;tert-butoxycarbonylamino-cyclopropanecarboxylic acid;1-tert-butoxycarbonylamino-cyclopropane-carboxylic acid;1-tert-butyloxycarbonylaminocyclopropanecarboxylic acid;1-(tert-Boc-amino)cyclopropanecarboxylic acid;1-(tert-butoxycarbonyl)aminocyclopropanecarboxylic acid;N-Boc-1-amino-1-cyclopropanecarboxylic acid;N-t-butoxycarbonyl-1-aminocyclopropane-1-carboxylic acid;DTXSID80350893;CCG-247527;1-({[(1,1-dimethylethyl)oxy]carbonyl}amino)cyclopropanecarboxylic acid;1-[(tert-butoxycarbonyl)-amino]cyclopropanecarboxylic acid;Oprea1_662183;BBL101931;SB39637;Boc-(1)NHnablaCO-OH;SCHEMBL142219;1-(Boc-amino)cyclopropane carboxylic acid;N-t-butoxycarbonyl-1-aminocyclopropanecarboxylic acid;1-((tert-butoxycarbonyl)amino) cyclopropanecarboxylic acid;1-(Boc-amino)cyclopropanecarboxylicacid;N-boc-amino-cyclopropanecarboxylic acid;ALBB-031229;1-[(tert-butoxycarbonyl)amino]cyclopropane-1-carboxylic acid;1-(tert-butoxycarbonyl-amino)-cyclopropanecarboxylic acid;1-((tert-butoxycarbonyl)amino)cyclopropane-1-carboxylic acid;AC-1800;EN300-92079;HMS1448K05;

标识符

MDL:
MFCD00083257
InChIKey:
DSKCOVBHIFAJRI-UHFFFAOYSA-N
Inchi:
1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)
SMILES:
O=C(NC1(CC1)C(O)=O)OC(C)(C)C

N-Boc-1-氨基环丙甲酸(88950-64-5)物化性质

实验特性

  • LogP : 1.51920
  • PSA : 75.63000
  • 沸点 : 347.6℃ at 760 mmHg
  • 熔点 : 178 ºC
  • 闪点 : 164℃
  • 颜色与性状 : Solid
  • 密度 : 1.21 g/cm3

计算特性

  • 精确分子量 : 201.10000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 201.1
  • 重原子数量 : 14
  • 复杂度 : 263
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.9
  • 拓扑分子极性表面积 : 75.6A^2

N-Boc-1-氨基环丙甲酸(88950-64-5)国际标准相关数据

EINECS:
230-181-3

N-Boc-1-氨基环丙甲酸(88950-64-5)海关数据

海关编码:
2924299090
海关数据:

中国海关编码:

2924299090

概述:

2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 包装

Summary:

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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N-Boc-1-氨基环丙甲酸(88950-64-5)合成路线

合成路线:1 步
反应条件:
参考文献:
New syntheses of cyclopropylaminocarboxylic acids - Preparation of 3',4'-methano-analogues of the antibiotic TAN-1057 A/B
Kordes, Markus, 1999, , ,
合成路线:1 步
反应条件:
参考文献:
Titanium-catalyzed cyclopropanation of Boc-protected cyanohydrins: A short access to aminocyclopropanecarboxylic acid derivatives
Pearson-Long, Morwenna S. M.; Beauseigneur, Alice; Karoyan, Philippe; Szymonial, Jan; Bertus, Philippe, Synthesis, 2010, (20), 3410-3414
合成路线:1 步
反应条件:
参考文献:
An efficient and high yield method for the N-tert-butoxycarbonyl protection of sterically hindered amino acids
Khalil, Ehab M.; Subasinghe, Nalin L.; Johnson, Rodney L., Tetrahedron Letters, 1996, 37(20), 3441-3444
合成路线:1 步
反应条件:
参考文献:
A convenient and efficient synthesis of 1-aminocyclopropanecarboxylic acid (ACC)
Wheeler, Thomas N.; Ray, John A., Synthetic Communications, 1988, 18(2), 141-9
合成路线:1 步
反应条件:
参考文献:
Studies on the titanium-catalyzed cyclopropanation of nitriles
Laroche, Christophe; Harakat, Dominique; Bertus, Philippe; Szymoniak, Jan, Organic & Biomolecular Chemistry, 2005, 3(19), 3482-3487
合成路线:1 步
反应条件:
参考文献:
Ti(II)-Mediated Conversion of α-Heterosubstituted (O, N, S) Nitriles to Functionalized Cyclopropylamines. Effect of Chelation on the Cyclopropanation Step
Bertus, Philippe; Szymoniak, Jan, Journal of Organic Chemistry, 2002, 67(11), 3965-3968
合成路线:1 步
参考文献:
Linear oligopeptides. Part 200. Crystallographic characterization of conformation of 1-aminocyclopropane-1-carboxylic acid residue (Ac3c) in simple derivatives and peptides
Valle, G.; Crisma, M.; Toniolo, C.; Holt, E. M.; Tamura, M.; et al, International Journal of Peptide & Protein Research, 1989, 34(1), 56-65
合成路线:1 步
参考文献:
Titanium-mediated cyclopropanation of nitriles with unsaturated Grignard reagents: Application to the synthesis of constrained lysine derivatives
Forcher, Gwenael; Clousier, Nathalie; Beauseigneur, Alice; Setzer, Paul; Boeda, Fabien; et al, Synthesis, 2015, 47(7), 992-1006
合成路线:1 步
反应条件:
参考文献:
Reaction of cyclopropanamines with hypochlorite
Vaidyanathan, Ganesan; Wilson, Joseph W., Journal of Organic Chemistry, 1989, 54(8), 1815-20
合成路线:1 步
反应条件:
参考文献:
Convenient synthesis and isolation of 1-aminocyclopropane-1-carboxylic acid (ACC) and N-protected ACC derivatives
Allwein, Shawn P.; Secord, Elizabeth A.; Martins, Andrew; Mitten, Jeffrey V.; Nelson, Todd D.; et al, Synlett, 2004, (14), 2489-2492

N-Boc-1-氨基环丙甲酸(88950-64-5)相关文献

N-Boc-1-氨基环丙甲酸(88950-64-5)参考资料

Beilstein:
4430628
PubChem CID:

N-Boc-1-氨基环丙甲酸(88950-64-5) MSDS

基础信息

Name:1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid Material Safety Data Sheet
Synonym:none know
CAS:88950-64-5
Section 1 - Chemical Product ? MSDS Name:1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid Material Safety Data Sheet
Synonym:none know

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
88950-64-51-[(tert-Butoxycarbonyl)amino]cyclopro97+%unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
? Handling:
Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 88950-64-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 177 - 178 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H15NO4
Molecular Weight: 201.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Reacts explosively with a large number of compounds and elements.
Please refer to NFPA 's Fire Protection guide to Hazardous Materials for details. May explode on contact with oxidizing materials. Darkens on exposure to light. Produces acrid fumes in air.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 88950-64-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 88950-64-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 88950-64-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 88950-64-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A