2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate

Basic Information

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CAS Number

161513-47-9

Molecular Formula

C8H15NO3

Molecular Weight

173.21 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

Basic Physical Properties

Melting Point

48-50 °C

Boiling Point

262.9°Cat760mmHg

Density

1.081

Flash Point

112.8°C

Refractive Index

1.462

SMILES

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CC(C)(C)OC(=O)NCC1CO1

InChI

InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1

InChIKey

ZBBGKXNNTNBRBH-LURJTMIESA-N

LogP

0.9098999999999999

Topological Polar Surface Area

50.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

174

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

tert-butyl N-{[(2S)-oxiran-2-yl]methyl}carbamate
Carbamic acid, [(2S)-oxiranylmethyl]-, 1,1-dimethylethyl ester
SCHEMBL2750096
CS-0132706
tert-butyl N-[(2S)-oxiran-2-ylmethyl]carbamate
(S)-1-(t-Butoxycarbonyl)-2,3-oxiranylmethylamine
AKOS028109283
tert-Butyl (S)-(oxiran-2-ylmethyl)carbamate
DTXSID701218168
D85839
ZBBGKXNNTNBRBH-LURJTMIESA-N
J-200125
EN300-1879354
tert-butyl (2S)-oxiran-2-ylmethylcarbamate
tert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamate
161513-47-9
(s)-tert-butyl oxiran-2-ylmethylcarbamate
(S)-N-Boc-2,3-epoxypropylamine, 97%
Carbamic acid, N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl ester
1,1-Dimethylethyl N-[(2S)-2-oxiranylmethyl]carbamate
AS-72044
(S)-oxiranylmethyl-carbamic acid tert-butyl ester
starbld0018309
tert-butyl (2S)oxiranylmethylcarbamate
(s)-1-(tert-butoxycarbonyl)-2,3-oxiranylmethylamine
(S)-N-Boc-2,3-epoxypropylamine
Carbamic acid,N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl ester
(S)-1-(TERT-BUTOXYCARBONYL)-2,3-OXIRANYLMETHYLAMINE
(S)-1-BOC-2,3-OXIRANYLAMINE
(OXIRANYLMETHYL)-,1,1-DIMETHYLETHY
(S)-(oxiran-2-ylmethyl)-tert-butyloxycarbonyl-amine

MDL Number

MFCD06200796

Customs Code

2924199090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate (CAS: 161513-47-9)?

2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate is a colorless or slightly yellow liquid with a molecular weight of approximately 137.2 g/mol. It has low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound exhibits typical reactivity of epoxides and carbamates. It is stable under normal conditions but can react with strong nucleophiles and bases.

How is 2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate (CAS: 161513-47-9) typically synthesized?

2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate can be synthesized via a multistep reaction involving the formation of an oxirane ring followed by a nucleophilic substitution. Commonly, it is prepared by reacting 2-methyl-2-propanol with phosgene in the presence of a base such as pyridine. The reaction yields the desired compound with good selectivity and moderate to high yields.

What industries use 2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate (CAS: 161513-47-9)?

2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate is primarily used in the pharmaceutical industry for the synthesis of various drug molecules. It is also employed in the polymer industry for modifying the properties of polymers and in the development of sensing technologies, particularly in the detection of specific analytes.

What precautions should be taken when handling 2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate (CAS: 161513-47-9)?

When handling 2-Methyl-2-propanyl [(2S)-2-oxiranylmethyl]carbamate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a fume hood to minimize exposure. Spills should be immediately cleaned up with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for proper disposal instructions. Handling should be done with care due to its reactivity with strong bases and nucleophiles.