DOI hydrochloride

Base Information

• Chemical Name: DOI hydrochloride
• CAS No.: 42203-78-1
• Molecular Formula: C11H16 I N O2 . Cl H
• Molecular Weight: 357.619
• Hs Code.: 2922299090
• European Community (EC) Number: 636-989-6
• UNII: Q2E57V2WS3
• DSSTox Substance ID: DTXSID50962366
• Wikidata: Q27286917
• ChEMBL ID: CHEMBL1255748
• Mol file: 42203-78-1.mol

Synonyms:1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane;1-(4-iodo-2,5-dimethoxyphenyl)-2-aminopropane;2,5-dimethoxy-4-iodoamphetamine;2,5-dimethoxy-4-iodoamphetamine hydrochloride;2,5-dimethoxy-4-iodophenylisopropylamine;4-DOI;4-iodo-2,5-dimethoxyphenylisopropylamine;4-iodo-2,5-dimethoxyphenylisopropylamine hydrochloride, (+-)-isomer;4-iodo-2,5-dimethoxyphenylisopropylamine hydrochloride, (R)-isomer;4-iodo-2,5-dimethoxyphenylisopropylamine, (+-)-isomer;4-iodo-2,5-dimethoxyphenylisopropylamine, (R)-isomer;4-iodo-2,5-dimethoxyphenylisopropylamine, 123I-labeled;4-iodo-2,5-dimethoxyphenylisopropylamine, 131I-labeled;DOI cpd;DOI-P

Chemical Property of DOI hydrochloride

Chemical Property:

• Vapor Pressure: 2.06E-05mmHg at 25°C
• Boiling Point: 361.5°C at 760 mmHg
• Flash Point: 172.5°C
• PSA: 44.48000
• LogP: 3.70040
• Storage Temp.: Store at RT
• Solubility.: H2O: soluble10mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 356.99925
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

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

DOIHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T,F
• Statements: 36/37/38-39/23/24/25-23/24/25-11
• Safety Statements: 22-26-36-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1OC)I)OC)N.Cl

Technology Process of DOI hydrochloride

There total 2 articles about DOI hydrochloride 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: 71.0%

(+/-)-N-acetyl-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (82830-50-0) → 4-iodo-2,5-dimethoxyphenylisopropylamine hydrochloride (42203-78-1,82830-44-2)

Guidance literature:

DOI:10.1021/jm00352a013

Reference yield:

(+/-)-N-acetyl-1-(2,5-dimethoxyphenyl)-2-aminopropane (42311-16-0) → 4-iodo-2,5-dimethoxyphenylisopropylamine hydrochloride (42203-78-1,82830-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.21 g / silver trifluoroacetate, I₂ / CHCl₃ / 18 h

2: 71 percent

With iodine; silver trifluoroacetate; In chloroform;

DOI:10.1021/jm00352a013

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-iodo-2,5-dimethoxyphenylisopropylamine hydrochloride (42203-78-1,82830-44-2) → N,N-dimethyl-2-(4-iodo-2,5-dimethoxyphenyl)isopropylamine (85563-10-6)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In methanol; for 48h;

DOI:10.1021/jm00374a023

upstream raw materials:

(+/-)-N-acetyl-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane

(+/-)-N-acetyl-1-(2,5-dimethoxyphenyl)-2-aminopropane

Downstream raw materials:

N,N-dimethyl-2-(4-iodo-2,5-dimethoxyphenyl)isopropylamine

Refernces