(1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

Basic Information

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CAS Number

927679-54-7

Molecular Formula

C11H17NO4

Molecular Weight

227.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

355.9℃ at 760 mmHg

Density

1.276

SMILES

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CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8+

InChIKey

GYEQQDCMLKKYGG-JIGDXULJSA-N

LogP

1.1839

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

321

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester
(1R,5S,6r)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
(1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid(1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
(1S,5R)-3-tert-Butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1α,5α,6α)-
cis-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
(1R*,5S*,6r*)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid(SALTDATA: FREE)
(1R,5S,6S)-3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID
(1R,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
EXO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID
exo-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
endo-3-[(tert-butoxy)carbonyl]-3-azabic
3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate (ACI)
rel-(1R,5S,6r)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CS-0035497
1401464-07-0
AC-31178
exo-3-Boc-3-Azabicyclo[3.1.0]hexane-6-carboxylic acid racemate
3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1alpha,5alpha,6beta)-
AS-32683
3-AZABICYCLO[3.1.0]HEXANE-3,6-DICARBOXYLIC ACID, 3-(1,1-DIMETHYLETHYL) ESTER, (1R,5S)-
endo-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CS1608
SCHEMBL22074771
927679-54-7
rel-(1R,5S,6s)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
GYEQQDCMLKKYGG-DHBOJHSNSA-N
rel-(1R,5S,6r)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
BGC46407
J-500484

MDL Number

MFCD12198680

FAQ

What is (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CAS: 927679-54-7)?

It is a cyclic amide with a unique azabicyclic structure, commonly used as an intermediate in organic synthesis. It has a complex molecular formula and is characterized by its specific stereochemistry and functional groups.

What are the main uses of (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CAS: 927679-54-7)?

This compound is primarily used as a synthetic intermediate in the pharmaceutical industry, particularly for the production of drugs and other chemical compounds. It also finds applications in research and development for new chemical entities.

Is (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CAS: 927679-54-7) safe?

The compound is generally considered safe under proper handling and storage conditions. It is important to follow standard safety protocols, including the use of appropriate personal protective equipment and storage in a well-ventilated area to minimize any potential risks.

How should (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CAS: 927679-54-7) be stored?

This compound should be stored under conditions that prevent exposure to moisture and light. It should be kept in a cool, dry place, away from direct sunlight and heat sources. Containers should be tightly sealed and labeled appropriately.