121579-86-0

Basic information

• Product Name: tert-Butyl 4-(chloromethyl)benzoate
• Synonyms: benzoic acid 4-(chloromethyl)-,1,1-dimenthylethyl ester;tert-Butyl 4-(chloromethyl)benzoate;4-(Chloromethyl)benzoic acid tert-butyl ester;ert-Butyl 4-(chloromethyl)benzoate;4-Chloro Methyl Benzoic Acid Tertiary Butyl Ester
• CAS NO: 121579-86-0
• Molecular Formula: C₁₂H₁₅ClO₂
• Molecular Weight: 226.71
• EINECS: 1592732-453-0
• Mol File: 121579-86-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 310℃
• Flash Point: 320℃
• Appearance: /
• Density: 1.108
• Vapor Pressure: 0.000614mmHg at 25°C
• Refractive Index: 1.514
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: tert-Butyl 4-(chloromethyl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl 4-(chloromethyl)benzoate(121579-86-0)
• EPA Substance Registry System: tert-Butyl 4-(chloromethyl)benzoate(121579-86-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 121579-86-0(Hazardous Substances Data)

Usage

General Description

Tert-Butyl 4-(chloromethyl)benzoate is a chemical compound with the molecular formula C13H15ClO2. It is an ester derived from benzoic acid and tert-butyl alcohol, with a chloromethyl group attached to the benzene ring. tert-Butyl 4-(chloromethyl)benzoate is commonly used as a reagent in organic synthesis and as a building block for the preparation of various pharmaceuticals and agrochemicals. It is a colorless to pale yellow liquid with a slightly sweet odor, and it is flammable and can cause irritation to the eyes, skin, and respiratory system. Tert-Butyl 4-(chloromethyl)benzoate should be handled and stored with caution and in compliance with all applicable safety regulations.

InChI:InChI=1/C12H15ClO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3

Upstream product

• 13756-42-8 tert-butyl 4-methylbenzoate 
• 1642-81-5 p-(chloromethyl)benzoic acid 
• 865-47-4 potassium tert-butylate 
• 98946-18-0 tert-Butyl 2,2,2-trichloroacetimidate 

Downstream Products

• 1207989-76-1 4-iodomethylbenzoic acid tert-butyl ester 
• 1207989-90-9 4-{(R)-2-[4-(4-tert-butylcyclohex-1-enyl)phenyl]-2-carboxyethyl}benzoic acid tert-butyl ester 
• 1207989-84-1 (R)-2-(4-bromophenyl)-3-(4-(tert-butoxycarbonyl)phenyl) propanoic acid 
• 1207989-85-2 (R)-2-(4-bromophenyl)-3-(4-tert-butoxycarbonylphenyl)propionate (S)-2-hydroxymethyl pyrrolidinium 
• 1207989-81-8 4-[2-(4-bromophenyl)-2-methoxycarbonylethyl]benzoic acid tert-butyl ester 
• 1437111-14-2 tert-butyl 4-((9-nitro-5,6-dihydro-2H-imidazo[2,1-b][1,3,6]oxadiazocin-4(3H)-yl)methyl)benzoate 
• 934810-06-7 Diallyl [4-(tert-butoxycarbonyl)benzyl]malonate 
• 845639-56-7 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester 

Relevant articles and documents

Silver-Catalyzed C(sp3)-H Chlorination

A silver-catalyzed chlorination of benzylic, tertiary, and secondary C(sp3)-H bonds was developed. The reaction proceeded with as low as 0.2 mol % catalyst loading at room temperature under air atmosphere with synthetically useful functional group compatibility. The regioselectivity and reactivity tendencies suggest that the chlorination proceeded through a radical pathway, but an intermediate alkylsilver species cannot be ruled out.

GLUCAGON ANTAGONISTS

Provided herein are compounds, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof which have glucagon receptor antagonist or inverse agonist activity. Further, provided herein are pharm