tert-Butyl acetylcarbamate

Base Information

• Chemical Name: tert-Butyl acetylcarbamate
• CAS No.: 120157-98-4
• Molecular Formula: C7H13NO3
• Molecular Weight: 159.185
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID70462570
• Nikkaji Number: J1.293.182D
• Wikidata: Q72434929
• Mol file: 120157-98-4.mol

Synonyms:tert-Butyl acetylcarbamate;120157-98-4;Tert-butyl N-acetylcarbamate;Carbamic acid, acetyl-, 1,1-dimethylethyl ester;Carbamic acid, acetyl-, 1,1-dimethylethyl ester (9CI);Carbamic acid, N-acetyl-, 1,1-dimethylethyl ester;n-boc-acetamide;t-Butyl acetylcarbamate;tert-Butylacetylcarbamate;SCHEMBL3951511;DTXSID70462570;WUPPVCVLOXKYBQ-UHFFFAOYSA-N;BCP15802;acetyl-carbamic acid tert-butyl ester;MFCD11977691;AKOS015910150;CS-0134558;FT-0645764;A804444

Chemical Property of tert-Butyl acetylcarbamate

Chemical Property:

• Appearance/Colour: White to off-white powder
• Refractive Index: 1.432
• PSA: 55.40000
• Density: 1.036 g/cm³
• LogP: 1.44850
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butylacetylcarbamate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl acetylcarbamate

There total 5 articles about tert-Butyl acetylcarbamate 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: 88.0%

tert-butyl carbazate (4248-19-5) + acetic anhydride (108-24-7) → N-(tert-butyloxycarbonyl)glycine (120157-98-4)

Guidance literature:

With perchloric acid on silica; at 20 ℃; for 3h;

Reference yield: 80.0%

tert-butyl N-ethylcarbamate (38267-76-4) → N-(tert-butyloxycarbonyl)glycine (120157-98-4)

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; In ethyl acetate; for 1h; Ambient temperature;

Reference yield: 45.0%

L-N-Boc-Ala (15761-38-3) → N-(tert-butyloxycarbonyl)glycine (120157-98-4)

Guidance literature:

With silica gel; In hexane; at 20 ℃; for 36h; UV-irradiation;

DOI:10.1246/cl.2000.542

upstream raw materials:

tert-butyl N-ethylcarbamate

L-N-Boc-Ala

N-t-butyloxycarbonyl-DL-alanine

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine

Downstream raw materials:

acetamide

C₆H₅C₃H₄NC₂H₃OC₅H₉O₂

1-<(tert-butoxycarbonyl)amino>-2(E)-hexene

((R)-1-Vinyl-butyl)-carbamic acid tert-butyl ester

Refernces

• 1、 Sakai, Takeo,Fukuta, Ayumi,Nakamura, Kumiko,Nakano, Masato,Mori, Yuji. "Total Synthesis of Brevisamide Using an Oxiranyl Anion Strategy". . p. 3799 - 3808. Retrieved 2016.
• 2、 -. "SALT OF ISOLATED COMPOUND CONTAINING AMIDE GROUP, METHOD FOR PRODUCING THE SAME, AND METHOD FOR SYNTHESIZING AMIDE COMPOUND USING THE SAME". Sheet 0077; 0078. . Retrieved 2018/08/23.