2-Chlorodopamine

Base Information

• Chemical Name: 2-Chlorodopamine
• CAS No.: 102851-70-7
• Molecular Formula: C8H10 Cl N O2
• Molecular Weight: 187.626
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID20145543
• Wikidata: Q83010109
• ChEMBL ID: CHEMBL1192924
• Mol file: 102851-70-7.mol

Synonyms:2-chlorodopamine;2-chlorodopamine hydrochloride

Chemical Property of 2-Chlorodopamine

Chemical Property:

• Vapor Pressure: 5.17E-05mmHg at 25°C
• Boiling Point: 338°Cat760mmHg
• PKA: 7.94±0.15(Predicted)
• Flash Point: 158.2°C
• PSA: 66.48000
• Density: 1.392g/cm³
• LogP: 1.95270
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.0400063
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1CCN)Cl)O)O

Technology Process of 2-Chlorodopamine

There total 12 articles about 2-Chlorodopamine 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: 88.19%

2-(2-chloro-3,4-dimethoxyphenyl)ethylamine (67287-36-9) → 2-chlorodopamine (102851-70-7)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 1.5h; Molecular sieve;

DOI:10.1055/s-0034-1379481

Reference yield:

2-chlorohomoveratrylamine → 2-chlorodopamine (102851-70-7)

Guidance literature:

With trimethylsilyl iodide; In sulfolane; chloroform; at 50 ℃; for 72h;

DOI:10.1021/jm00159a005

Reference yield:

2-chloro-3,4-dimethoxybenzaldehyde (5417-17-4) → 2-chlorodopamine (102851-70-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / ammonium acetate / acetic acid / 3 h / Heating

2: 80 percent / LiAlH₄, AlCl₃ / tetrahydrofuran / 16 h / Ambient temperature

3: Me₃SiI / CHCl₃; tetrahydrothiophene 1,1-dioxide / 72 h / 50 °C

With ammonium acetate; lithium aluminium tetrahydride; aluminium trichloride; trimethylsilyl iodide; In tetrahydrofuran; sulfolane; chloroform; acetic acid;

DOI:10.1021/jm00159a005

upstream raw materials:

2-chloro-3,4-dimethoxybenzyl chloride

2-chloro-3,4-dimethoxybenzaldehyde

2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile

(E)-2-chloro-3,4-dimethoxy-1-(2-nitrovinyl)benzene