CID 11322024

Base Information

• Chemical Name: CID 11322024
• CAS No.: 26177-44-6
• Molecular Formula: C7H8BrN^.HCl
• Molecular Weight: 222.512
• Hs Code.: 29214900
• Mol file: 26177-44-6.mol

Synonyms:

Chemical Property of CID 11322024

Chemical Property:

• Appearance/Colour: off-white to beige crystalline powder
• Vapor Pressure: 0.0236mmHg at 25°C
• Melting Point: 272-276 °C
• Refractive Index: 1,5855-1,5875
• Boiling Point: 248.9 °C at 760 mmHg
• Flash Point: 104.3 °C
• PSA: 26.02000
• Density: 1.481 g/cm³
• LogP: 3.41010
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.96069
• Heavy Atom Count: 10
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Bromobenzylamine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-21/22
• Safety Statements: 26-37/39-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C[NH3+])Br.[Cl-]
• Uses: 4-Bromobenzylamine hydrochloride is used to study the characteristics of C-terminal polyamine modification in the presence of protease and amine. Further, it is used to prepare 1-(4-Brombenzyl)-pyrrole by reacting with 2,5-dimethoxy-tetrahydro-furan.

Technology Process of CID 11322024

There total 14 articles about CID 11322024 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-bromobenzenecarbonitrile (623-00-7) → 4-bromobenzylamine hydrochloride (26177-44-6)

Guidance literature:

4-bromobenzenecarbonitrile; With [2,6-η6:η1-bis(2,4,6-trimethylphenyl)phenylthiolato]triethylphosphineruthenium(II)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; diethylphenylsilane; at 20 ℃; for 18h; Glovebox; Inert atmosphere;

With hydrogenchloride; In diethyl ether; at 20 ℃; for 1h; Glovebox; Inert atmosphere;

DOI:10.1055/s-0036-1588441

Reference yield: 94.0%

1-(4-bromobenzyl)-3,4-diphenyl-1H-pyrrole-2,5-dione → 2,3-diphenylmaleic anhydride (4808-48-4) + 4-bromobenzylamine hydrochloride (26177-44-6)

Guidance literature:

1-(4-bromobenzyl)-3,4-diphenyl-1H-pyrrole-2,5-dione; With potassium hydroxide; In ethanol; water; at 102 ℃; for 0.133333h; Microwave irradiation; Green chemistry;

With hydrogenchloride; In ethanol; water; pH=4; Temperature; Green chemistry;

DOI:10.1039/c6gc01318j

Reference yield: 94.0%

1-(4-bromobenzyl)-3,4-diphenyl-1H-pyrrole-2,5-dione → 4-bromobenzylamine hydrochloride (26177-44-6)

Guidance literature:

1-(4-bromobenzyl)-3,4-diphenyl-1H-pyrrole-2,5-dione; With water; potassium hydroxide; In ethanol; at 102 ℃; for 0.166667h; Microwave irradiation;

With hydrogenchloride;

upstream raw materials:

p-bromobenzyl chloride

p-bromobenzylazide

4-bromobenzaldehyde oxime

4-bromobenzenecarbonitrile

Downstream raw materials:

2,4-dimethyl-5,6,8-trihydro-8-[(4-bromophenyl)methyl]-7H-pyrido[2,3-d]pyrimidin-7-one

(1S,4R)-(-)-para-bromobenzylcamphanamide

(3aS,4S,6R,6aR)-6-[6-(4-Bromo-benzylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid methylamide

1-(p-bromobenzyl)-2-t-butyl-4-(p-fluorophenyl)-6-phenylpyridinium trifluoromethanesulphonate

Refernces

• 1、 Sarkar, Koushik,Das, Kuhali,Kundu, Abhishek,Adhikari, Debashis,Maji, Biplab. "Phosphine-Free Manganese Catalyst Enables Selective Transfer Hydrogenation of Nitriles to Primary and Secondary Amines Using Ammonia-Borane". . p. 2786 - 2794. Retrieved 2021/03/03.
• 2、 -. "Preparation method of intermediate p-bromobenzylamine hydrochloride for synthesizing protein degradation agent 1". Paragraph 0018; 0020-0024; 0026-0029; 0031-0034; 0036-0038. . Retrieved 2021/06/02.