(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride

Base Information

• Chemical Name: (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride
• CAS No.: 35202-55-2
• Molecular Formula: C11H15NO2
• Molecular Weight: 229.707
• UNII: 322VUN7K2C
• NSC Number: 268229,154409
• Mol file: 35202-55-2.mol

Synonyms:35202-55-2;(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride;(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride;MFCD28038688;NSC-268229;(3,4-DIMETHOXYBICYCLO[4.2.0]OCTA-1,3,5-TRIEN-7-YL)METHANAMINE HCL;322VUN7K2C;NSC154409;NSC268229;(3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHANAMINE HYDROCHLORIDE;4,5-Dimethoxy-1-(aminomethyl)benzocyclobutane hydrochloride;SCHEMBL7274416;(S)-(3,4-Dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)methanamine hydrochloride;AKOS025402605;CS-W004232;DS-8914;NSC-154409;SB80592;SY109118;DB-092617;C74811;A874717;3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-methanamine Hydrochloride;(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine hydrochloride;(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanaminehydrochloride;1-{3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl}methanamine hydrochloride;BICYCLO(4.2.0)OCTA-1,3,5-TRIENE-7-METHANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE;Bicyclo[4.2.0]octa-1,5-triene-7-methanamine, 3,4-dimethoxy-, hydrochloride, (.+-.)-;(3 pound not4-Dimethoxybicyclo[4.2.0]octa-1 pound not3 pound not5-trien-7-yl)methanamine hydrochloride;BICYCLO(4.2.0)OCTA-1,3,5-TRIENE-7-METHANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE (1:1)

Chemical Property of (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.000668mmHg at 25°C
• Boiling Point: 308.7°Cat760mmHg
• Flash Point: 153.3°C
• PSA: 44.48000
• Density: 1.113g/cm³
• LogP: 2.80450
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanaminehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2C(CC2=C1)CN)OC.Cl

Technology Process of (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride

There total 8 articles about (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine 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: 90.0%

3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (35202-54-1) → 1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride (35202-55-2)

Guidance literature:

3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile; With borane-THF; In tetrahydrofuran; at 20 ℃; for 12h;

With ethanol; In tetrahydrofuran; for 1h;

With hydrogenchloride; In tetrahydrofuran; diethyl ether;

Reference yield:

3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile (35249-62-8) → 1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride (35202-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia; sodium; iron(III) chloride / 2 h / 20 °C

2: borane-THF / ethanol; tetrahydrofuran / 13 h

With iron(III) chloride; borane-THF; ammonia; sodium; In tetrahydrofuran; ethanol;

Reference yield:

(2E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile (37629-85-9) → 1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride (35202-55-2)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium tetrahydroborate; pyridine / methanol / 9 h / Reflux

2: bromine; sodium acetate; acetic acid

3: ammonia; sodium; iron(III) chloride / 2 h / 20 °C

4: borane-THF / ethanol; tetrahydrofuran / 13 h

With pyridine; iron(III) chloride; sodium tetrahydroborate; borane-THF; ammonia; bromine; sodium acetate; sodium; acetic acid; In tetrahydrofuran; methanol; ethanol;

upstream raw materials:

3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

(2E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile

3-(3,4-dimethoxyphenyl)propanenitrile

3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile

Downstream raw materials:

({3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl}methyl)(methyl)amine

3-{3-[{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}-(methyl)amino]propyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

ivabradine

[{(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl}methyl](methyl)amine

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