Candicine chloride

Base Information

• Chemical Name: Candicine chloride
• CAS No.: 3761-58-8
• Molecular Formula: C11H18NO+
• Molecular Weight: 215.723
• UNII: TL3035N52J
• ChEMBL ID: CHEMBL448505
• NSC Number: 287442
• Wikidata: Q27290006
• Mol file: 3761-58-8.mol

Synonyms:maltoxin;CANDICINE CHLORIDE;3761-58-8;TL3035N52J;NSC-287442;2-(4-Hydroxyphenyl)-N,N,N-trimethylethan-1-aminium chloride;UNII-TL3035N52J;NSC 287442;4-Hydroxy-N,N,N-trimethylbenzeneethanaminium chloride;CHEMBL448505;Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-, chloride;NSC287442;(p-hydroxyphenethyl)-trimethylammonium chloride;(P-HYDROXYPHENETHYL)TRIMETHYLAMMONIUM CHLORIDE;Q27290006;BENZENEETHANAMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-, CHLORIDE (1:1)

Chemical Property of Candicine chloride

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.1076919
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCC1=CC=C(C=C1)O.[Cl-]

Technology Process of Candicine chloride

There total 6 articles about Candicine chloride 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:

4-methoxyphenethyl-dimethylamine (775-33-7) → candicine chloride (3761-58-8)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated aqueous hydrochloric acid / 160 °C

With hydrogenchloride;

DOI:10.1021/ja01275a021

Reference yield:

p-methoxybenzylnitrile (104-47-2) → candicine chloride (3761-58-8)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol; palladium / Hydrogenation

2: concentrated aqueous hydrochloric acid / 160 °C

With hydrogenchloride; methanol; palladium;

DOI:10.1021/ja01275a021

Reference yield:

N,N-dimethyltyramine (539-15-1) → candicine chloride (3761-58-8)

Guidance literature:

DOI:10.1021/ja01275a021

upstream raw materials:

methylene chloride

N,N-dimethyltyramine

4-methoxyphenethyl-dimethylamine

p-methoxybenzylnitrile

Downstream raw materials:

N,N-dimethyltyramine