rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid

Basic Information

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CAS Number

27687-14-5

Molecular Formula

C13H23NO4

Molecular Weight

257.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

133.0 to 137.0 deg-C

Boiling Point

410 ℃ at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t9-,10-

InChIKey

AZEKNJGFCSHZID-MGCOHNPYSA-N

LogP

2.4021

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

301

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID601347564
CBA68714
4-(([(TERT-BUTOXY)CARBONYL]AMINO)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID
A848421
MFCD00673773
AZEKNJGFCSHZID-AOOOYVTPSA-N
SY042490
Trans-4-(t-butyloxycarbonylaminomethyl)cyclohexanecarboxylic acid
4-(Boc-aminomethyl)cyclohexanecarboxylic Acid
cis-4-(((tert-Butoxycarbonyl)amino)methyl)cyclohexane-1-carboxylic acid
trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid
4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarboxylic Acid
EN300-157668
trans-4-(tert.-butyloxycarbonylaminomethyl)cyclohexanecarboxylic acid
trans-4-(tert-butoxycarbonylamino-methyl)-cyclo-hexanecarboxylic acid
AKOS032957128
N-(tert-butoxycarbonyl)-trans-4-(aminomethyl )-1-cyclohexanecarboxylic acid
4-[[(tert-butoxycarbonyl)amino]methyl] cyclohexanecarboxylic acid
162046-58-4
trans-4-{[(tert-butoxy)carbonylamino]methyl}cyclohexanecarboxylic acid
FT-0667444
A934958
trans-4 (tert-Butoxycarbonylamino-methyl)-cyclohexanecarboxylic acid
CS-0127908
trans-4-(t-butoxycarbonylaminomethyl)cyclohexyl carboxylic acid
trans-4-tert-Butyloxycarbonylaminomethylcyclohexanecarboxylic Acid
(1r,4r)-4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid
FT-0752291
SCHEMBL9885629
4-[[(tert-butoxycarbonyl)amino]methyl]cyclohexanecarboxylic acid
4-[[(tert-butoxycarbonyl)-amino]methyl]cyclohexanecarboxylic acid

MDL Number

MFCD00673773

Customs Code

2924299090

FAQ

What is rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5)?

Rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5) is a cyclic amide compound. It contains a six-membered ring with a nitrogen atom, a carboxylic acid group, and a tert-butoxycarbonyl (BOC) protecting group. This compound is usually colorless and has a characteristic melting point range in the solid state.

What are the main uses of rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5)?

Rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5) is primarily used in the pharmaceutical industry for the synthesis of various drug candidates. It is also utilized in the chemical industry for the development of new materials and in research for organic synthesis.

Is rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5) safe?

Rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5) is generally considered safe for laboratory use with proper handling and precautions. However, it should be used in a well-ventilated area and appropriate personal protective equipment (PPE) should be worn. Avoid contact with eyes and skin, and handle with care to prevent accidental ingestion.

How should rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5) be stored?

Rac-(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid (CAS: 27687-14-5) should be stored in a cool, dry place away from direct sunlight and moisture. Store it in a tightly sealed container to prevent degradation. Maintain a temperature below 25°C to ensure stability and minimize the risk of adverse reactions.