Tert-butyl propionylcarbamate

Base Information

• Chemical Name: Tert-butyl propionylcarbamate
• CAS No.: 120157-99-5
• Molecular Formula: C8H15 N O3
• Molecular Weight: 173.212
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID201265776
• Mol file: 120157-99-5.mol

Synonyms:tert-butyl propionylcarbamate;120157-99-5;TERT-BUTYL N-PROPANOYLCARBAMATE;Carbamic acid, (1-oxopropyl)-, 1,1-dimethylethyl ester (9CI);tert-butylpropionylcarbamate;SCHEMBL240769;RXGHOITZVRRVCE-UHFFFAOYSA-N;DTXSID201265776;MFCD24465735;AKOS022178165;1,1-Dimethylethyl N-propanoylcarbamate;propionyl-carbamic acid tert-butyl ester;NS-01420;N-propanoyl-carbamic acid tert-butyl ester;1,1-Dimethylethyl N-(1-oxopropyl)carbamate

Chemical Property of Tert-butyl propionylcarbamate

Chemical Property:

• PSA: 58.89000
• LogP: 2.28800
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

tert-Butylpropionylcarbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl propionylcarbamate

There total 6 articles about Tert-butyl propionylcarbamate 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: 90.0%

propylcarbamic acid tert-butyl ester (105678-25-9) → N-propanoyl-1,1-dimethylethyl carbamate (120157-99-5)

Guidance literature:

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

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → N-propanoyl-1,1-dimethylethyl carbamate (120157-99-5)

Guidance literature:

Multi-step reaction with 3 steps

1: Na₂CO₃ / dioxane; H₂O / 0 °C

2: Jones reagent

3: H₂

With jones reagent; hydrogen; sodium carbonate; In 1,4-dioxane; water;

DOI:10.1016/0040-4039(94)02384-N

Reference yield:

(R)-tert-butyl (1-hydroxybut-3-yn-2-yl)carbamate (162107-49-5) → Boc-D-Abu (45121-22-0) + N-propanoyl-1,1-dimethylethyl carbamate (120157-99-5)

Guidance literature:

With jones reagent; hydrogen; palladium on activated charcoal; Yield given. Multistep reaction. Yields of byproduct given; 1.) acetone, 0 deg C, 2 h, 2.) CH₃OH, 3 h;

DOI:10.1016/0040-4020(96)00630-8

upstream raw materials:

propylcarbamic acid tert-butyl ester

N-Boc-D-ethynyl glycine

(R)-tert-butyl (1-hydroxybut-3-yn-2-yl)carbamate

di-tert-butyl dicarbonate

Downstream raw materials:

Propionamid