CARBAMIC ACID, [4-(BROMOMETHYL)-2-FLUOROPHENYL]-, 1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: CARBAMIC ACID, [4-(BROMOMETHYL)-2-FLUOROPHENYL]-, 1,1-DIMETHYLETHYL ESTER
• CAS No.: 323578-36-5
• Molecular Formula: C12H15BrFNO2
• Molecular Weight: 304.159
• Hs Code.: 2916399090
• Mol file: 323578-36-5.mol

Synonyms:

Chemical Property of CARBAMIC ACID, [4-(BROMOMETHYL)-2-FLUOROPHENYL]-, 1,1-DIMETHYLETHYL ESTER

Chemical Property:

• Boiling Point: 299.4±35.0 °C(Predicted)
• PKA: 12.41±0.70(Predicted)
• PSA: 38.33000
• Density: 1.433±0.06 g/cm3(Predicted)
• LogP: 4.14060

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-3-fluorobenzyl bromide, N-Boc protected ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CARBAMIC ACID, [4-(BROMOMETHYL)-2-FLUOROPHENYL]-, 1,1-DIMETHYLETHYL ESTER

There total 3 articles about CARBAMIC ACID, [4-(BROMOMETHYL)-2-FLUOROPHENYL]-, 1,1-DIMETHYLETHYL ESTER 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:

tert-butyl 2-fluoro-4-methylphenylcarbamate (323578-35-4) → tert-butyl (4-(bromomethyl)-2-fluorophenyl)carbamate (323578-36-5)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 85 ℃; for 4h;

DOI:10.1021/jm0003135

Reference yield:

2-fluoro-4-methyl-1-nitrobenzene (446-34-4) → tert-butyl (4-(bromomethyl)-2-fluorophenyl)carbamate (323578-36-5)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / 10percent Pd/C / ethanol / 3 h / 760.05 Torr

2: dioxane / 48 h / 100 °C

3: N-bromosuccinimide; benzoyl peroxide / CCl₄ / 4 h / 85 °C

With N-Bromosuccinimide; hydrogen; dibenzoyl peroxide; 10percent Pd/C; In 1,4-dioxane; tetrachloromethane; ethanol;

DOI:10.1021/jm0003135

Reference yield:

2-fluoro-4-methylaniline (452-80-2) → tert-butyl (4-(bromomethyl)-2-fluorophenyl)carbamate (323578-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dioxane / 48 h / 100 °C

2: N-bromosuccinimide; benzoyl peroxide / CCl₄ / 4 h / 85 °C

With N-Bromosuccinimide; dibenzoyl peroxide; In 1,4-dioxane; tetrachloromethane;

DOI:10.1021/jm0003135

upstream raw materials:

tert-butyl 2-fluoro-4-methylphenylcarbamate

2-fluoro-4-methyl-1-nitrobenzene

2-fluoro-4-methylaniline

Downstream raw materials:

(2R)-N-[1-(4-tert-butoxycarbonylamino-3-fluorobenzyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide

(3-fluoro-4-methanesulfonylamino-phenyl)-acetic acid

(2-fluoro-4-hydroxymethyl-phenyl)-carbamic acid tert-butyl ester