Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 154748-49-9
• Molecular Formula: C₉H₁₅NO₃
• Molecular Weight: 185.223
• Hs Code.: 29242990
• Mol file: 154748-49-9.mol

Synonyms:Carbamicacid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI);3-(tert-Butyloxycarbonylamino)cyclobutan-1-one;

Chemical Property of Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI)

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Melting Point: 120-125℃
• Refractive Index: 1.474
• Boiling Point: 302.1 °C at 760 mmHg
• PKA: 11.60±0.20(Predicted)
• Flash Point: 136.5 °C
• PSA: 55.40000
• Density: 1.1 g/cm³
• LogP: 1.63350
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl(3-Oxocyclobutyl)carbamate ^*data from reagent suppliers

Safty Information:

• Statements: 52-51/53-36/37/38
• Safety Statements: 3/9-4-22-26-28-29-35-44

MSDS Files:

SDS file from LookChem

Useful:

• Uses: tert-Butyl (3-Oxocyclobutyl)carbamate is used in the preparation of 5-HT1-like receptor agonists. It is also used to synthesize (oxadiazolyl)quinoline derivatives as highly potent HCV NS4B inhibitors.

Technology Process of Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI)

There total 12 articles about Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI) 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: 87.0%

C13H25NO4 → 3-(tert-butyloxycarbonylamino)cyclobutan-1-one (154748-49-9)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; water; at 20 ℃; for 2h;

Reference yield: 86.2%

3-aminocyclobutan-1-one hydrochloride (1035374-20-9) + di-tert-butyl dicarbonate (24424-99-5) → 3-(tert-butyloxycarbonylamino)cyclobutan-1-one (154748-49-9)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 4h;

Reference yield: 81.0%

C11H21NO4 → 3-(tert-butyloxycarbonylamino)cyclobutan-1-one (154748-49-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 2h;

upstream raw materials:

(3-methylene-cyclobutyl)-carbamic acid tert-butyl ester

3-aminocyclobutan-1-one hydrochloride

di-tert-butyl dicarbonate

tert-butyl alcohol

Downstream raw materials:

tert-butyl (1,3-cis)-N-(3-hydroxycyclobutyl)carbamate

tert-butyl 3-fluorocyclobutylcarbamate

(3-methylene-cyclobutyl)-carbamic acid tert-butyl ester

Refernces

• 1、 -. "Preparation method of tert-butyl 3-oxocyclobutyl carbamate". Paragraph 0048-0049. . Retrieved 2020/11/12.
• 2、 -. "COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY". Paragraph 0118; 0250. . Retrieved 2017/02/24.