125995-13-3 (6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯,(4R,cis)-1,1-Dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate)

快速询单

结构式：

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯MOL文件

CAS号：

125995-13-3

中文名称：

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯

英文名称：

(4R,cis)-1,1-Dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate

安全信息：

分子式：

C₁₄H₂₇NO₄

分子量：

273.368484735489

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯(125995-13-3)名称与标识符

名称

中文别名：

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯;(4R-Cis)-6-氨乙基-2,2-二甲基-1,3-二氧戊环-己酸叔丁酯;阿托伐他汀钙中间体 ATS-9;阿伐他汀钙(αTS-9);2-[(4R,6R)-6-(2-氨乙基)-2,2-二甲基-1,3-二恶烷-4-基]乙酸叔丁酯;(4R,6R)-2,2-二甲基-6-(2-氨乙基)-1,3-二氧六环-4-乙酸叔丁酯;(4R,6R)-6-(氨乙基)-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯及合成技术;(4R-Cis)-6-氨乙基-2,2-二甲基-1,3-二氧戊环-己酸叔丁酯(ATS-9);ATS-9 6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯;ATS-9: (4R-Cis)-6-氨乙基-2, 2-二甲基-1, 3-二氧己环-4-乙酸叔丁酯;阿伐他汀钙侧链ATS-9;阿伐他汀钙中间体;阿托伐他汀钙ATS-9;阿托伐他汀钙中间体标准品;阿托伐他汀钙中间体（ATS-9）;甲基苯基硅烷;直接兰199;(4R,6R)-6-(氨乙基)-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯;(4R,6R)-6-氨乙基-2,2-二甲基n-1,3-二氧己环-4-乙酸叔丁酯;6-氨乙基-2,2-二甲基-1,3-二氯六环-4-乙酸叔丁酯;6-氨乙基-2,2-二甲基-1,3-二氧戊环-4-乙酸叔丁酯;6-氨乙基-2,2-二甲基-1,3-二氧戊环-乙酸叔丁酯;侧链ATS-9;(4R-CIS)-6-氨乙基-2,2-二甲基-1,3-二氧戊...;阿托伐他汀钙 ATS-9;

英文别名：

(4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-CIS)-1,1-DIMETHYLETHYL-6-AMINOETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE (ATS-9);Atorvastatin Intermediate;Atorvastatin Calcium Intermediate ATS-9;(4R,6R)-t-Butyl-6-(2-Aminoethyl)-2,2-Dimethyl-1,3-Dioxane-4-Acetate;tert-Butyl 2-[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate;(4R,cis)-1,1-Dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate;Atorvastatin ATS-9;Ats-9;(4R-cis)-1,1-dimethylethyl-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate;(4R-cis)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetic acid tertiary butyl ester;[(4R,6R)-6-(2-Amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic acid tert-butyl ester;2-[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic Acid tert-Butyl Ester;ATROVASTATIN INTERMEDIATES;tert-butyl [(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate;tert-Butyl 6-aminoe;(4R-Cis)-1,1-Dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxoane-4-acetate;2-diMethyl-1;3-dioxane-4-acetate;Atorvastatin Impurity Ⅱ;Atorvastatin Intermediate 1;Atorvastatin Intermediate Ⅰ;(4R,6R)-Tert-Butyl-6-(2-Aminoe;Atorvastatin intermediatesAts-9;6R)-tert-Butyl-6-(2-aMinoethyl)-2;(4R,Cis)-1,1-diMethylethyl6-aMinoethyl;[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]acetic acid tert-butyl ester;HWSHVKNLMBMKSR-GHMZBOCLSA-N;1,1-Dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-;(4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;J-005316;(+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;DS-10700;R3QE8JH2KS;B3702;(4R-cis)-1,1-dimethylethyl 6-(2-aminoethyl)- 2,2-dimethyl-1,3-dioxane-4-acetate;1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-Cis)-1,1-Dimethyl ethyl-6-amino ethyl-2,2-dimethyl-1,3-dioxane-4-acetate;1,1-Dimethylethyl (4R-cis)-6-Aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate;MFCD07369252;125995-13-3;(4R-cis)-1,1dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;tert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate;1,3-Dioxane-4-aceticacid,6-(2-aminoethyl-2-13c)-2,2-dimethyl-,1,1-dimethylethyl ester,(4r-cis)-(9ci);(4R,6R)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, AldrichCPR;tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,6R)-;A805453;1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-;2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-3,3-dimethyl-butanoate;(4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;SCHEMBL916725;AM90285;t-butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-yl)acetate;AKOS015894231;(4R-cis)-1,1-dimethyethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;CS-W003388;1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-;(4R-cis)-1,1-dimethylethyl 6-(2-aminoethyl) -2,2-dimethyl-1,3-dioxane-4-acetate;tert-Butyl 2-[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl -1,3-dioxan-4-yl]acetate;DB-005514;TERT-BUTYL(4R,6R)-2-[6-(2-AMINOETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE;

标识符

MDL：

MFCD07369252

InChIKey：

HWSHVKNLMBMKSR-GHMZBOCLSA-N

Inchi：

1S/C14H27NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6-9,15H2,1-5H3/t10-,11-/m1/s1

SMILES：

O1C(C)(C)O[C@@H](CC(=O)OC(C)(C)C)C[C@H]1CCN

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯(125995-13-3)物化性质

实验特性

LogP : 2.67750
PSA : 70.78000
折射率 : 1.454-1.456
沸点 : 339.8°C at 760 mmHg
蒸气压 : 0.0±0.7 mmHg at 25°C
闪点 : 96.8℃
颜色与性状 : 黄色粘性液体
溶解性 : 无可用
最大波长(λmax) : 204(EtOH)(lit.)
密度 : 1.020(lit.)

计算特性

精确分子量 : 273.19400
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 6
同位素质量 : 273.194
重原子数量 : 19
复杂度 : 309
同位素原子数量 : 0
确定原子立构中心数量 : 2
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） : 1.1
表面电荷 : 1
拓扑分子极性表面积 : 72.4

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯(125995-13-3)安全信息

符号： GHS07
安全术语： S24/25
安全说明： S24/25
危害声明：H315-H319
警示性声明：P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
提示语：警告
储存条件： Keep in dark place,Inert atmosphere,2-8°C
信号词： Warning

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯(125995-13-3)海关数据

海关编码：

2932999099

海关数据：

中国海关编码：

2932999099

概述：

2932999099. 其他仅含氧杂原子的杂环化合物. 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:20.0%

申报要素：

品名, 成分含量, 用途

Summary：

2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯(125995-13-3)参考资料

Reaxys RN：

5340002

PubChem CID：

125308062

6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯(125995-13-3) MSDS

基础信息

Name:	(4R 6R)-t-Butyl-6-(2-aminoethyl)-2 2-dimethyl-1 3-dioxane-4-acetate Material Safety Data Sheet
Synonym:	None
CAS:	125995-13-3

Section 1 - Chemical Product ? MSDS Name:(4R 6R)-t-Butyl-6-(2-aminoethyl)-2 2-dimethyl-1 3-dioxane-4-acetate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
125995-13-3	(4R,6R)-t-Butyl-6-(2-aminoethyl)-2,2-d	95	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
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.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 125995-13-3: Personal Protective Equipment Eyes: Not available.
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: Viscous liquid
Color: clear yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C13H25NO4
Molecular Weight: 259.35

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, carbon dioxide, acid anhydrides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 125995-13-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(4R,6R)-t-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate - 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# 125995-13-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 125995-13-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 125995-13-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A