4-bromo-N,N-dimethylbenzamide

Base Information

• Chemical Name: 4-bromo-N,N-dimethylbenzamide
• CAS No.: 18469-37-9
• Molecular Formula: C9H10 Br N O
• Molecular Weight: 228.088
• Hs Code.: 2924299090
• European Community (EC) Number: 811-669-0
• DSSTox Substance ID: DTXSID00171608
• Nikkaji Number: J1.067.637A
• Mol file: 18469-37-9.mol

Synonyms:4-bromo-N,N-dimethylbenzamide;18469-37-9;N,N-Dimethyl 4-bromobenzamide;benzamide, 4-bromo-N,N-dimethyl-;N,N-Dimethyl p-bromobenzamide;N,N-Dimethyl-4-bromobenzamide;4-Bromo-N,N-dimethyl-benzamide;p-bromobenzoyldimethylamine;p-Bromobenzoyldimethylamide;CBMicro_012074;Cambridge id 5101775;n,n-dimethyl-p-bromobenzamide;p-Bromo-N,N-dimethylbenzamide;SCHEMBL642860;DTXSID00171608;SMSF0003203;MFCD00463696;4-(dimethylcarbamoyl)-1-bromobenzene;AKOS000173115;AM86711;CB15573;FS-4290;4-Bromo-N,N-dimethylbenzamide, AldrichCPR;BIM-0012080.P001;BB 0259515;CS-0130734;FT-0683450;AB00073570-01;EN300-1910898;Z32014422;InChI=1/C9H10BrNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H

Chemical Property of 4-bromo-N,N-dimethylbenzamide

Chemical Property:

• Vapor Pressure: 0.000308mmHg at 25°C
• Melting Point: 76-79 °C
• Boiling Point: 320.9°Cat760mmHg
• PKA: -1.42±0.70(Predicted)
• Flash Point: 147.9°C
• PSA: 20.31000
• Density: 1.417g/cm³
• LogP: 2.15090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 226.99458
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N-Dimethyl 4-bromobenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)C1=CC=C(C=C1)Br

Technology Process of 4-bromo-N,N-dimethylbenzamide

There total 26 articles about 4-bromo-N,N-dimethylbenzamide 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: 99.0%

4-Bromobenzoic acid (586-76-5) + dimethyl amine (124-40-3) → 4-bromo-N,N-dimethylbenzamide (18469-37-9)

Guidance literature:

4-Bromobenzoic acid; With thionyl chloride; at 80 ℃; for 2h; Inert atmosphere;

dimethyl amine; With triethylamine; In dichloromethane; at 25 ℃; for 16h; Inert atmosphere;

Reference yield: 98.0%

dimethyl amine (124-40-3) + 4-chlorobenzoyl chloride (586-75-4) → 4-bromo-N,N-dimethylbenzamide (18469-37-9)

Guidance literature:

dimethyl amine; 4-chlorobenzoyl chloride; With triethylamine; In tetrahydrofuran; dichloromethane; at 20 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; dichloromethane; water; at 20 ℃;

Reference yield: 96.0%

4-bromobenzenemethanol (873-75-6) + dimethyl amine (124-40-3) → 4-bromo-N,N-dimethylbenzamide (18469-37-9)

Guidance literature:

With oxygen; sodium hydroxide; In water; at 25 ℃; for 24h;

DOI:10.1016/j.tetlet.2013.10.133

upstream raw materials:

dimethyl amine

4-chlorobenzoyl chloride

(4-Bromo-phenyl)-dimethylamino-trimethylsilanyloxy-acetonitrile

acrylonitrile

Downstream raw materials:

(4-bromobenzyl)dimethylamine

(4-bromophenyl)difluoro-N,N-dimethylmethanamine

N₁,N₁-dimethyl-N₄-(pyrrolidin-1-ylsulfonyl)terephthalamide

benzil

Refernces

• 1、 Tan, Xuefeng,Massignan, Leonardo,Hou, Xiaoyan,Frey, Johanna,Oliveira, Jo?o C. A.,Hussain, Masoom Nasiha,Ackermann, Lutz. "Rhoda-Electrocatalyzed Bimetallic C?H Oxygenation by Weak O-Coordination". supporting information. p. 13264 - 13270. Retrieved 2021/05/06.
• 2、 -. "N2-carbamylaryl-2-aminopyrimidine derivative and medical application thereof". Paragraph 0037; 0040-0041; 0102-0103; 0105. . Retrieved 2020/10/28.