tert-Butyl (3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
• CAS No.: 138371-47-8
• Molecular Formula: C16H23NO3
• Molecular Weight: 277.35900
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60577849
• Mol file: 138371-47-8.mol

Synonyms:138371-47-8;(1-Benzoyl-2-methyl-propyl)-carbamic acid tert-butyl ester;tert-Butyl (3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate;TERT-BUTYL N-(3-METHYL-1-OXO-1-PHENYLBUTAN-2-YL)CARBAMATE;Carbamic acid, (1-benzoyl-2-methylpropyl)-, 1,1-dimethylethyl ester (9CI);SCHEMBL8283003;DTXSID60577849;SB33242;CS-0237427;EN300-183350;Z1505717203

Chemical Property of tert-Butyl (3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate

Chemical Property:

• PSA: 58.89000
• LogP: 3.62300
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 277.16779360
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

99.90% ^*data from raw suppliers

tert-Butyl(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

Technology Process of tert-Butyl (3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate

There total 3 articles about tert-Butyl (3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (1-Benzoyl-2-methyl-propyl)-carbamic acid tert-butyl ester (138371-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / Et₃N, 4-dimethylaminopyridine / acetonitrile / 0.5 h / Ambient temperature

2: 1) NaH / 1) DMF, NaH, 0 deg C, 0.25 h, 2) DMF, 0 deg C, 1 h

With dmap; sodium hydride; triethylamine; In acetonitrile;

DOI:10.1139/v91-298

Reference yield:

2-aminoacetophenone hydrochloride (5468-37-1) → (1-Benzoyl-2-methyl-propyl)-carbamic acid tert-butyl ester (138371-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / Et₃N, 4-dimethylaminopyridine / acetonitrile / 0.5 h / Ambient temperature

2: 1) NaH / 1) DMF, NaH, 0 deg C, 0.25 h, 2) DMF, 0 deg C, 1 h

With dmap; sodium hydride; triethylamine; In acetonitrile;

DOI:10.1139/v91-298

Reference yield:

(2-Oxo-2-phenylethyl)carbamic acid tert-butyl ester (76477-26-4) + isopropyl bromide (75-26-3) → (1-Benzoyl-2-methyl-propyl)-carbamic acid tert-butyl ester (138371-47-8)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1) DMF, NaH, 0 deg C, 0.25 h, 2) DMF, 0 deg C, 1 h;

DOI:10.1139/v91-298

upstream raw materials:

(2-Oxo-2-phenylethyl)carbamic acid tert-butyl ester

isopropyl bromide

di-tert-butyl dicarbonate

2-aminoacetophenone hydrochloride

Downstream raw materials:

2-amino-3-methyl-1-phenyl-butan-1-one; hydrochloride