(2R)-Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid

Basic Information

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CAS Number

70491-05-3

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

Melting Point

75°C

Boiling Point

407.9°C at 760 mmHg

Density

1.111

Flash Point

200.5°C

Refractive Index

1.49

Specific Rotation

-8.4° (c=1, MeOH)

SMILES

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CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)O

InChI

InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1

InChIKey

QSUXZIPXYDQFCX-SNVBAGLBSA-N

LogP

2.5446

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

303

Safety Information

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Hazard Statement

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

(R)-2-((tert-Butoxycarbonyl)amino)-2-cyclohexylacetic acid
(R)-2-(Boc-amino)-2-cyclohexylacetic Acid
(2R)-2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetic acid
N-Boc-D-2-cyclohexylglycine
AKOS015902580
EN300-7383673
AC-24101
n-boc-d-cyclohexylglycine
(r)-2-(tert-butoxycarbonylamino)-2-cyclohexylacetic acid
(2R)-[(tert-butoxycarbonyl)amino](cyclohexyl)ethanoic acid
Boc-D-Chg-OH,Nonhydrate
Boc-(D)-Chg-OH
SCHEMBL844822
QSUXZIPXYDQFCX-SNVBAGLBSA-N
DTXSID40426700
J-300444
CS-W012548
Boc-D-Chg-OH
(2R)-2-Cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Boc-D-Chg-OH, >=98.0% (TLC)
(2R)-[(tert-butoxycarbonyl)-amino](cyclohexyl)ethanoic acid
70491-05-3
boc-d-cyclohexyl glycine
(2R)-[(tert-Butoxycarbonyl)amino](cyclohexyl)acetic acid
HY-W011832
B4975
(2r)-2-cyclohexyl-2-((2-methylpropan-2-yl)oxycarbonylamino)acetic acid
N-(tert-Butoxycarbonyl)-D-2-cyclohexylglycine
AS-19573
Boc-D-cyclohexylglycine
(R)-tert-butoxycarbonylamino-cyclohexyl-acetic acid

MDL Number

MFCD00133629

Customs Code

29242990

FAQ

What are the physical and chemical properties of (2R)-Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid (CAS: 70491-05-3)?

The compound is a white to off-white crystalline solid with a molecular weight of approximately 270.4 g/mol. It is slightly soluble in water and more soluble in organic solvents. It is reactive towards bases and will undergo hydrolysis under basic conditions. It is stable under normal storage conditions but should be protected from moisture and light.

How is (2R)-Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid (CAS: 70491-05-3) typically synthesized?

This compound can be synthesized via amide formation between cyclohexylamine and (2-methyl-2-propanyloxycarbonyl)acetic acid chloride. Commonly, this involves reactions under anhydrous conditions with a Lewis acid catalyst such as aluminum chloride. The reaction is typically carried out at room temperature, and the yield is around 85-90%. The compound is selective and stable under these conditions.

What industries use (2R)-Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid (CAS: 70491-05-3)?

This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It can also be used in biochemical research for labeling purposes. Due to its specific functional groups, it might be utilized in chemical sensors and as a component in some polymers for specific applications.

What precautions should be taken when handling (2R)-Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid (CAS: 70491-05-3)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and light. In case of a spill, it should be carefully cleaned up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.