2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate

Basic Information

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CAS Number

79069-14-0

Molecular Formula

C10H21NO3

Molecular Weight

203.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

208 °C

Density

0.995 g/mL at 25 °C

Refractive Index

n20/D 1.449(lit.)

Specific Rotation

-23 º (c=1 in chloroform)

SMILES

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

InChI

InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1

InChIKey

OOQRRYDVICNJGC-MRVPVSSYSA-N

LogP

1.528

Topological Polar Surface Area

58.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

184

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

SCHEMBL1134642
CS-W015451
(S)-N-(tert-Butoxycarbonyl)valinol
Boc-Val-ol
N-Boc-D-valinol
2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate
tert-butyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
1-Butanol, (Ss)-2-[(tert.butyloxycarbonyl)amino]-3-methyl-
AKOS005259784
((1S)-1-hydroxymethyl-2-methylpropyl)carbamic acid t-butyl ester
MFCD00082635
(S)-2-(Boc-amino)-3-methyl-1-butanol
Boc-L-valinol
tert-Butyl 1-(hydroxymethyl)-2-methylpropylcarbamate #
(S)-tert-butyl (1-hydroxy-3-methylbutan-2-yl)carbamate
1,1-dimethylethyl N-[1-(S)-(hydroxymethyl)-2-methylpropyl]carbamate
BOC-D-VAL-OL
N-Boc-L-valinol
tert-Butyl (1S)-1-(hydroxymethyl)-2-methylpropylcarbamate
AKOS015907104
Boc-ValCH2OH
AS-14911
N-(tert-Butoxycarbonyl)-L-valinol
AC-24051
N-(tert-Butoxycarbonyl)-L-valinol, 96%
tert-butyl (S)-(1-hydroxy-3-methylbutan-2-yl)carbamate
79069-14-0
N-(tert.-butyloxycarbonyl)-L-valinol
EN300-171458
N-tert-Butoxycarbonyl-L-valinol
DTXSID70427366

MDL Number

MFCD00082635

Customs Code

2924199090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate (CAS: 79069-14-0)?

2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate is a liquid at room temperature with a molecular weight of approximately 174.24 g/mol. It is slightly soluble in water but miscible with organic solvents. Chemically, it is relatively stable but can react with strong acids to form the corresponding amide. It has a characteristic odor and boiling point around 90-95°C. It is sensitive to moisture and should be stored in a dry environment.

How is 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate (CAS: 79069-14-0) typically synthesized?

2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate is synthesized by the reaction between 2-methyl-2-propanol and carbamic acid. The synthesis typically involves a condensation reaction using a suitable base as a catalyst. The product is obtained with good selectivity and yield, making it a useful intermediate in organic synthesis.

What industries use 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate (CAS: 79069-14-0)?

2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate is used in various industries, particularly in the pharmaceutical and chemical sectors. It serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and other chemical compounds. Its use in the production of polymers and as a reagent in analytical chemistry is also notable.

What precautions should be taken when handling 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate (CAS: 79069-14-0)?

When handling 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. Fume hoods should be used during handling to minimize exposure. In case of a spill, immediate cleanup should be conducted using appropriate absorbent materials, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.