2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate

Basic Information

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CAS Number

106391-86-0

Molecular Formula

C8H17NO3

Molecular Weight

175.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

58-61 °C

Boiling Point

276.4℃ at 760 mmHg

Density

1.0250

Flash Point

121℃

Refractive Index

+8.6±0.5°

Specific Rotation

11 º (c=1 in chloroform)

SMILES

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

InChI

InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1

InChIKey

PDAFIZPRSXHMCO-ZCFIWIBFSA-N

LogP

0.8919000000000001

Topological Polar Surface Area

58.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

151

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

Synonyms & References

English

Z440825094
DTXSID70526964
1,1-Dimethylethyl (2-hydroxy-1(R)-methylethyl)carbamate
(R)-2-(N-tert-butyloxycarbonylamino)-1-propanol
N-(tert-butoxycarbonyl)-D-alaninol
CS-W008185
GS-4215
N-Boc-D-alaninol
Boc-D-Ala-ol
(R)-2-(Boc-amino)-1-propanol, 98%, optical purity ee: 98% (GLC)
Tert-butyl [(2R)-1-hydroxypropan-2-yl]carbamate
(R)-N-tert-butoxycarbonyl-2-amino-1-propanol
A801430
(R)-(2-hydroxy-1-methyl-ethyl)-carbamic acid tert-butyl ester
((R)-2-hydroxy-1-methyl-ethyl)carbamic acid tert-butyl ester
(1R)-2-hydroxy-1-methyl-ethyl-carbamic acid tert-butyl ester
EN300-43564
(R)- N-(tert-butoxycarbonyl)-2-amino-1-propanol
tert-butyl (R)-(1-hydroxypropan-2-yl)carbamate
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
(R)-tert-butyl(1-hydroxypropan-2-yl)carbamate
N-Alpha-T-Boc-D-Alaninol
(R)-2-t-butoxycarbonylamino-1-propanol
AC-5653
tert-butyl N-[(1R)-2-hydroxy-1-methyl-ethyl]carbamate
1,1-dimethylethyl [(1R)-2-hydroxy-1-methylethyl]carbamate
tert-butyl[(1R)-2-hydroxy-1-methylethyl]carbamate
(R)-TERT-BUTYL (1-HYDROXYPROPAN-2-YL)CARBAMATE
tert-butyl [(1R)-2-hydroxy-1-methylethyl]carbamate
MFCD00235912
Carbamic acid, [(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester

MDL Number

MFCD00235912

Customs Code

2924199090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate (CAS: 106391-86-0)?

2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate (CAS: 106391-86-0) is a colorless, crystalline solid at room temperature. Its molecular weight is approximately 144.17 g/mol. The compound is slightly soluble in water and has good solubility in organic solvents. It is chemically stable under normal conditions but can react with strong bases and acids. The compound is a primary amide, which can undergo nucleophilic substitution reactions and hydrolysis under certain conditions.

How is 2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate (CAS: 106391-86-0) typically synthesized?

2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate can be synthesized via a two-step process. First, 2-methyl-2-propanol is treated with sodium hydride to form the enolate, which then reacts with ethyl carbamate to give the desired product. Alternatively, it can be produced by the nucleophilic addition of 2-methyl-2-propanol to ethyl cyanoacetate followed by hydrolysis. The yield is typically around 70-80%, and the reaction is performed under anhydrous conditions to avoid side reactions.

What industries use 2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate (CAS: 106391-86-0)?

2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate (CAS: 106391-86-0) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the production of certain polymers and as a chemical reagent in analytical chemistry. The compound has potential applications in sensors and as a building block for organic synthesis, although its specific use cases in these areas are more specialized.

What precautions should be taken when handling 2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate (CAS: 106391-86-0)?

When handling 2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate (CAS: 106391-86-0), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. Handling should be done in a well-ventilated area or fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed guidelines on handling and disposal.