114873-00-6 (BOC-L-2-氟苯丙氨酸,Boc-2-fluoro-L-phenylalanine)

CAS号:
114873-00-6
中文名称:
BOC-L-2-氟苯丙氨酸
英文名称:
Boc-2-fluoro-L-phenylalanine
分子式:
C14H18FNO4
分子量:
283.295427799225

BOC-L-2-氟苯丙氨酸(114873-00-6)名称与标识符

名称

中文别名:
BOC-L-2-氟苯丙氨酸;N-叔丁氧羰基-L-2-氟苯丙氨酸;2-溴-4-噁唑羧醛;BOC-L-2-F-苯丙氨酸;BOC-L-2-氟苯基丙氨酸;L-N-BOC-2-氟苯丙氨酸;N-BOC-L-2-氟苯丙氨酸;N-BOC-2-氟-L-苯基丙氨酸;BOC-L-2-氟苯丙氨酸 10G;
英文别名:
Boc-2-fluoro-L-phenylalanine;tert-Butoxycarbonyl-L-2-fluorophenylalanine;BOC-L-2-Fluorophe;(S)-N-BOC-2-FLUOROPHENYLALANINE;Boc-L-2-Fluorophenylalanine;Boc-L-Phe(2-F)-OH;(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-fluorophenyl)propanoic acid;Boc-2-(L)-fluorophenylalanine;BOC-2-FLUORO-L-PHE;Boc-L-2-Fluoro-phe-OH;BOC-O-FLUORO-PHE-OH;BOC-PHE(O-F)-OH;RARECHEM BK PT 0020;Boc-Phe(2-F)-OH;(S)-BOC-2-Fluorophe;Boc-o-fluoro-L-Phe-OH;Boc-D-2-fluorophenylalanine;(2S)-2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid;(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-2-[(tert-butoxy)carbonylamino]-3-(2-fluorophenyl)propanoic acid;PubC;L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-;PubChem6121;Boc-2-Fluoro-L-Phe-OH;Boc-L-2-Fluoro phenylalanine;N-Boc-o;AM83330;(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-fluorophenyl)propanoate;EN300-3365337;AC-5824;Boc-Phe(2-F)-OH, >=98.0% (TLC);MFCD00672520;N10789;AKOS015895340;(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(2-fluorophenyl)propanoic acid;(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(2-FLUOROPHENYL)PROPANOIC ACID;114873-00-6;N-alpha-t-Butyloxycarbonyl-L-2-fluorophenylalanine (Boc-L-Phe(2-F)-OH);A803255;Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-;NTWUXBKUDXGMHV-NSHDSACASA-N;J-300398;SCHEMBL1270141;N-tert-Butoxycarbonyl-L-2-Fluoro Phenylalanine;N-Boc-o-fluoro-L-phenylalanine;DS-16137;CS-W012251;DTXSID00370336;CHEMBL5306958;(2S)-2-[(tert-butoxycarbonyl)amino]-3-(2-fluorophenyl)propanoic acid;

标识符

MDL:
MFCD00672520
InChIKey:
NTWUXBKUDXGMHV-NSHDSACASA-N
Inchi:
1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
SMILES:
FC1C=CC=CC=1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

BOC-L-2-氟苯丙氨酸(114873-00-6)物化性质

实验特性

  • LogP : 2.73700
  • PSA : 75.63000
  • 折射率 : 1.517
  • 沸点 : 427.3±40.0 °C at 760 mmHg
  • 熔点 : 92-98 °C
  • 闪点 : 212.2±27.3 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 比旋光度 : 10 º (c=1,EtOAc)
  • 光学活性 : [α]20/D +9±1°, c = 1% in ethyl acetate
  • 密度 : 1.1918 (estimate)

计算特性

  • 精确分子量 : 283.12200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 同位素质量 : 283.122
  • 重原子数量 : 20
  • 复杂度 : 354
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : 3.3
  • 表面电荷 : -1
  • 拓扑分子极性表面积 : 75.6

BOC-L-2-氟苯丙氨酸(114873-00-6)国际标准相关数据

EINECS:
220-105-7

BOC-L-2-氟苯丙氨酸(114873-00-6)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%

BOC-L-2-氟苯丙氨酸(114873-00-6)推荐厂家 更多厂家(29)

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湖北云镁科技有限公司 18327059871
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方经理 235010015
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上海瀚思化工有限公司 18939883912
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上海腾准生物科技有限公司 19821570922
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上海一基实业有限公司 13311756131
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胡经理 2355265332
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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上海甄准生物科技有限公司 13918293035
021-68920155
陈经理13918293035 3001005926
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湖北健楚生物医药有限公司 13477033894
027-65528557
王经理 3821225285
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BOC-L-2-氟苯丙氨酸(114873-00-6)上下游

BOC-L-2-氟苯丙氨酸(114873-00-6)参考资料

Beilstein:
5347990
PubChem CID:

BOC-L-2-氟苯丙氨酸(114873-00-6) MSDS

基础信息

Name:(S)-N-BOC-2-Fluorophenylalanine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym:N-tert-Butoxycarbonyl-2-Fluorophenyl-L-Alanine.
CAS:114873-00-6
Section 1 - Chemical Product MSDS Name: (S)-N-BOC-2-Fluorophenylalanine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym: N-tert-Butoxycarbonyl-2-Fluorophenyl-L-Alanine.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
114873-00-6(S)-N-BOC-2-Fluorophenylalanine95%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with 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:
Treat symptomatically and supportively.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 114873-00-6: 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 to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 92-96 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: C14H18FNO4
Molecular Weight: 283.3
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 114873-00-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-N-BOC-2-Fluorophenylalanine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 114873-00-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 114873-00-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 114873-00-6 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/16/2002 Revision #2 Date: 10/05/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A