1-Phenylethane-1,2-diamine dihydrochloride

Base Information

• Chemical Name: 1-Phenylethane-1,2-diamine dihydrochloride
• CAS No.: 16635-94-2
• Molecular Formula: C₈H₁₄N₂*2Cl
• Molecular Weight: 209.119
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID20507283
• Mol file: 16635-94-2.mol

Synonyms:1-Phenylethane-1,2-diamine dihydrochloride;16635-94-2;1-phenylethane-1,2-diamine;dihydrochloride;1,2-Ethanediamine, 1-phenyl-, hydrochloride (1:2);1-Phenylethane-1,2-diaminedihydrochloride;1-Phenyl-1,2-ethanediamine dihydrochloride;1-Phenyl-ethane-1,2-diamine dihydrochloride;SCHEMBL6694632;NIOSH/KV5330700;DTXSID20507283;ZVHIGOVJILOQNV-UHFFFAOYSA-N;AKOS016002341;NU-1472;SB78022;1-PHENYLETHANE-1,2-DIAMINE 2HCL;AS-68022;(+-)-1-Phenylethylenediamine dihydrochloride;CS-0156509;KV53307000;1-phenyl-1,2-diamino ethane, dihydrochloride;EN300-195683;N12631;A882333;1-Phenylethane-1,2-diamine--hydrogen chloride (1/2);Ethylenediamine, 1-phenyl-, dihydrochloride, (+-)-

Chemical Property of 1-Phenylethane-1,2-diamine dihydrochloride

Chemical Property:

• PSA: 52.04000
• LogP: 3.64970
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.0534038
• Heavy Atom Count: 12
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

1-Phenyl-1,2-ethanediamineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CN)N.Cl.Cl
• Uses: 1-Phenyl-1,2-ethanediamine Dihydrochloride is used in the preparation of benzamide compounds as CGRP receptor antagonists which are useful for the treatment of migraines.

Technology Process of 1-Phenylethane-1,2-diamine dihydrochloride

There total 21 articles about 1-Phenylethane-1,2-diamine dihydrochloride 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: 100.0%

(1-azido-2-nitroethyl)benzene (507468-44-2) → (R/S)-1,2-diamino-1-phenylethane dihydrochloride (4921-62-4,16635-94-2,98300-61-9,98300-62-0,132316-54-2)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; water; under 2280.15 Torr;

DOI:10.1055/s-0030-1258176

Reference yield: 99.0%

4-phenylimidazolidin-2-one (27129-49-3) → (R/S)-1,2-diamino-1-phenylethane dihydrochloride (4921-62-4,16635-94-2,98300-61-9,98300-62-0,132316-54-2)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 0.0833333h; Sealed tube; Microwave irradiation;

DOI:10.1002/anie.202013687

Reference yield: 98.0%

1-azido-1-phenyl-2-aminoethane (96788-10-2) → (R/S)-1,2-diamino-1-phenylethane dihydrochloride (4921-62-4,16635-94-2,98300-61-9,98300-62-0,132316-54-2)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 18h; under 3102.9 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)91013-0

upstream raw materials:

(2-nitroethenyl)benzene

1-azido-1-phenyl-2-aminoethane

1-phenyl-1-acetylamino-2-acetylaminoethane

(1-azido-2-nitroethyl)benzene

Downstream raw materials:

4-phenyl-4,5-dihydro-1⁽³⁾H-imidazol-2-ylamine

(4-phenyl-4,5-dihydro-1⁽³⁾H-imidazol-2-yl)-carbamic acid ethyl ester

(4-phenyl-4,5-dihydro-1⁽³⁾H-imidazol-2-yl)-carbamic acid methyl ester

2-<(isobutoxycarbonyl)amino>-4(5)-phenyl-2-imidazoline

Refernces

• 1、 Kotlyar, Volodymyr M.,Kolomoitsev, Oleksii O.,Nikolaievskyi, Dmytro V.,Pedan, Polina I.,Chumak, Andrii Yu,Orlov, Valery D.,Shishkina, Svitlana V.,Doroshenko, Andrey O.. "Photoreactive fused aziridinylpiperazines on the background of 4-substituted chalcones and their benzimidazolic analogs". . p. 741 - 746. Retrieved 2019/01/10.
• 2、 Robiette, Raphael,Tran, Trieu-Van,Cordi, Alex,Tinant, Bernard,Marchand-Brynaert, Jacqueline. "A practical synthesis of 1,2-nitroamines by Michael addition of N-nucleophiles to nitroalkenes". experimental part. p. 3138 - 3142. Retrieved 2010/11/03.