CID 2752110

Base Information

• Chemical Name: CID 2752110
• CAS No.: 645-33-0
• Molecular Formula: C9H14ClNO2
• Molecular Weight: 203.669
• Hs Code.: 29222990
• Mol file: 645-33-0.mol

Synonyms:AKOS004907142

Chemical Property of CID 2752110

Chemical Property:

• Appearance/Colour: slightly beige fluffy powder
• Melting Point: 207-211 °C
• Boiling Point: 306.8 °C at 760 mmHg
• Flash Point: 139.3 °C
• PSA: 55.48000
• LogP: 2.40430
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.0713064
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

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

3-Hydroxy-4-methoxyphenethylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC[NH3+])O.[Cl-]
• Uses: 3-Hydroxy-4-methoxyphenethylamine Hydrochloride is a derivative of Dopamine (D533780), an endogenous catecholamine with α and β-adrenergic activity. Cardiotonic; antihypotensive.

Technology Process of CID 2752110

There total 1 articles about CID 2752110 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: 91.0%

2-(3-hydroxy-4-methoxyphenyl)-1-nitroethene (39816-35-8) → 3-hydroxy-4-methoxy-β-phenethylamine hydrochloride (645-33-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; at 0 ℃; under 760 Torr;

DOI:10.1246/bcsj.63.1252

Reference yield: 100.0%

3-hydroxy-4-methoxy-β-phenethylamine hydrochloride (645-33-0) + (2R)-2-{[(tert-butoxy)carbonyl]amino}-4,4-dimethylpentanoic acid (112695-98-4) → tert-butyl (R)-(1-((3-hydroxy-4-methoxyphenethyl)amino)-4,4-dimethyl-1-oxopentan-2-yl)carbamate

Guidance literature:

With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; Reagent/catalyst; Solvent;

Reference yield: 97.0%

3-hydroxy-4-methoxy-β-phenethylamine hydrochloride (645-33-0) + C31H31N3O9S (308359-33-3) → (1'R,6R,6aR,7R,13S,14R,16R)-5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8-dihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinoline]-14-carbonitrile (114899-80-8)

Guidance literature:

With sodium acetate; In ethanol; at 23 ℃; for 3h;

DOI:10.1021/ja0571794

upstream raw materials:

2-(3-hydroxy-4-methoxyphenyl)-1-nitroethene

Downstream raw materials:

1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-isoquinoline-hydrochloride

5-(2-acetylamino-ethyl)-2-methoxy-phenol

rac-salsoline

salsoline-1-carboxylic acid

Refernces