2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate

Basic Information

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CAS Number

77119-85-8

Molecular Formula

C14H19NO3

Molecular Weight

249.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

86-89 °C

Boiling Point

367℃ at 760 mmHg

Density

1.077

Flash Point

367 °C at 760 mmHg

SMILES

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

InChI

InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m1/s1

InChIKey

ZJTYRNPLVNMVPQ-GFCCVEGCSA-N

LogP

2.3213

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

277

Synonyms & References

English

N-Boc-2(R)-3-phenylpropanal
((R)-1-Benzyl-2-oxo-ethyl)-carbamic acid t-butyl ester
ZJTYRNPLVNMVPQ-GFCCVEGCSA-N
CS-0186140
N-Boc-D-phenylalaninal
tert-butyl N-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamate
(R)-tert-Butyl (1-oxo-3-phenylpropan-2-yl)carbamate
TS-7041
Boc-D-Phe-H
tert-Butyl(3R)-3-(methylamino)pyrrolidine-1-carboxylate
A838961
(R)-2-(N-t-butoxycarbonylamino)-3-phenyl-propan-1-one
N-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester
MFCD00274187
(R)-2-t-butoxycarbonylamino-3-phenylpropanal
AMY37816
Z1065768488
N-Boc-D-phenylalaninal, 97%
AC-23792
(R)-2-BOC-amino-3-PHENYLPROPANAL
tert-butyl N-[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
tert-butyl [(2R)-1-oxo-3-phenylpropan-2-yl]carbamate
(R)-(+)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal
(R)-tert-Butyl(1-oxo-3-phenylpropan-2-yl)carbamate
EN300-66990
MFCD00801183
I11544
Boc-D-Phenylalaninal
SCHEMBL1094506
AKOS005146059
Carbamic acid, [(1R)-1-formyl-2-phenylethyl]-, 1,1-dimethylethyl ester

MDL Number

MFCD00274187

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate (CAS: 77119-85-8)?

2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate (CAS: 77119-85-8) is a colorless solid with a crystalline form. Its molecular weight is approximately 305.32 g/mol. This compound has a low water solubility but is soluble in organic solvents like dichloromethane and acetone. It is moderately reactive, particularly with nucleophiles. It can undergo hydrolysis and substitution reactions under certain conditions.

How is 2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate (CAS: 77119-85-8) typically synthesized?

2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate is typically synthesized via a Grignard reaction followed by a condensation step. The reaction involves the use of phenylmagnesium bromide with 2-methyl-2-propanol, followed by quenching with a carbamoyl chloride. The yield is moderate, and the reaction is carried out under anhydrous conditions with a suitable catalyst.

What industries use 2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate (CAS: 77119-85-8)?

2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate (CAS: 77119-85-8) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also applicable in the polymer industry for modification of polymer properties. Additionally, it finds applications in the development of sensors and in organic semiconductor materials due to its functional groups.

What precautions should be taken when handling 2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate (CAS: 77119-85-8)?

When handling 2-Methyl-2-propanyl [(2R)-1-oxo-3-phenyl-2-propanyl]carbamate (CAS: 77119-85-8), it is essential to use personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a cool, dry place away from direct sunlight and incompatible materials. Fume hoods should be used during handling to minimize inhalation risk. In case of a spill, it should be cleaned up using appropriate safety procedures, and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions.