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

Basic Information

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CAS Number

66605-57-0

Molecular Formula

C14H21NO3

Molecular Weight

251.33 g/mol

Basic Physical Properties

Melting Point

94.0 to 98.0 deg-C

Boiling Point

410.1℃ at 760 mmHg

Density

1.0696 (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

201.8℃

Refractive Index

1.5280 (estimate)

Specific Rotation

-27 º (c=1 in chloroform)

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CO

InChI

InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1

InChIKey

LDKDMDVMMCXTMO-LBPRGKRZSA-N

LogP

2.1147

Topological Polar Surface Area

58.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

254

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

HY-75947
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
MFCD00076976
N-(tert.-butyloxycarbonyl)-L-phenylalaninol
tert.-butyl-[(2S)-1-hydroxy-3-phenylpropane-2-yl]carbamate
EN300-6193647
(S)-(-)-2-(tertbutoxycarbonylamino)-3-phenyl-1-propanol
Boc-Phenylalaninol
N-(tert-Butoxycarbonyl)-L-phenylalaninol
M03448
(S)-2-(Boc-amino)-3-phenyl-1-propanol, 98%
J-640372
(S)-2-tert-butoxycarbonylamino-3-phenylpropanol
tert-butyl (1S)-1-benzyl-2-hydroxyethylcarbamate
(S)-2-(Boc-amino)-3-phenyl-1-propanol
Q-101622
Boc-(S)-2-amino-3-phenyl-1-propanol
((S)-1-Hydroxymethyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester
(2S)-2-(tert-butoxycarbonyl)amino-3-phenyl-1-propanol
(S)-N-(tert-Butoxycarbonyl)-beta-phenylalaninol
J-800378
AKOS005259786
N-Boc-L-phenylalaninol
(S)-tert-Butyl (1-hydroxy-3-phenylpropan-2-yl)carbamate
Boc-L-phenylalaninol
Boc-Phe-ol
(S)-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol
Boc-PheCH2OH
tert-butyl (S)-(1-hydroxy-3-phenylpropan-2-yl)carbamate
(S)-(-)-2-(t-Butoxycarbonylamino)-3-phenyl-1-propanol
(S)-(-)-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol

MDL Number

MFCD00076976

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate (CAS: 66605-57-0)?

2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate is a colorless or light yellow liquid with a molecular weight of approximately 287.35 g/mol. It has a pKa of about 8.5, making it slightly basic. The compound is only slightly soluble in water but more soluble in organic solvents like ethanol, acetone, and chloroform. It is reactive towards nucleophiles and can undergo substitution reactions under certain conditions.

How is 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate (CAS: 66605-57-0) typically synthesized?

2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate is typically synthesized via a condensation reaction between a carboxylic acid and a phenol. The reaction often involves the use of specific catalysts and requires controlled conditions to ensure high selectivity and yield. Common methods include the Swern oxidation followed by a coupling reaction, but the exact synthesis route can vary depending on the starting materials and desired purity.

What industries use 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate (CAS: 66605-57-0)?

2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer for producing special polymers and in the sensor industry as a functional group for detector elements. Additionally, it may be used in the semiconductor industry for specific chemical processes.

What precautions should be taken when handling 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate (CAS: 66605-57-0)?

When handling 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-phenyl-2-propanyl]carbamate, it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, neutralize the spill with an appropriate chemical and clean up according to the Material Safety Data Sheet (MSDS/SDS). Always perform experiments in a well-ventilated area or fume hood to avoid inhalation of the compound.