3,4-Methylenedioxyphenethylamine hydrochloride

Base Information

• Chemical Name: 3,4-Methylenedioxyphenethylamine hydrochloride
• CAS No.: 1653-64-1
• Molecular Formula: C9H11 N O2 . Cl H
• Molecular Weight: 201.653
• Hs Code.: 2932999099
• European Community (EC) Number: 674-083-2
• NSC Number: 28335
• UNII: 7SUB6XH7D8
• DSSTox Substance ID: DTXSID80167882
• Mol file: 1653-64-1.mol

Synonyms:1653-64-1;3,4-Methylenedioxyphenethylamine hydrochloride;2-(3,4-Methylenedioxyphenyl)ethylamine hydrochloride;2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride;homopiperonylamine hydrochloride;Phenethylamine, 3,4-methylenedioxy-, hydrochloride;1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1);1,3-Benzodioxole-5-ethanamine, hydrochloride;NSC 28335;7SUB6XH7D8;2-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride;3,4-Methylenedioxy-beta-phenylethylamine hydrochloride;3,4-Methylenedioxyphenethylaminehydrochloride;3,4-(Methylenedioxy)phenylethylamine hydrochloride;3,4-Methylenedioxy-.beta.-phenylethylamine hydrochloride;2-(benzo[d][1,3]dioxol-5-yl)ethan-1-amine hydrochloride;Phenethylamine, 3,4-(methylenedioxy)-, hydrochloride;MDPEA hydrochloride;3,4-MDPEA hydrochloride;UNII-7SUB6XH7D8;SCHEMBL857029;homopiperonylamine, hydrochloride;DTXSID80167882;BCP25759;NSC28335;3,4-Methylenedioxyphenethylamine HCl;MFCD00035193;NSC-28335;AKOS015844805;FS-4931;WLN: T56 BO DO CHJ G2Z &GH;LS-103629;1,3-Benzodioxole-5-ethanamine Hydrochloride;FT-0614395;3,4-methylenedioxyphenethyl amine hydrochloride;V10007;3,4-Methylenedioxyphenethylamine hydrochloride, 98%;J-511228;2-benzo[1,3]dioxol-5-yl-ethylamine hydrochloride salt;2-(BENZO[D][1,3]DIOXOL-5-YL)ETHAN-1-AMINE HCL

Chemical Property of 3,4-Methylenedioxyphenethylamine hydrochloride

Chemical Property:

• Melting Point: 216-218 °C(lit.)
• Refractive Index: 1.5620
• Boiling Point: 166℃
• Flash Point: 129.8°C
• PSA: 44.48000
• Density: 1.225
• LogP: 2.41880
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

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

1,3-Benzodioxole-5-ethanamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+,Xi
• Statements: 26/27/28-36/37/38
• Safety Statements: 22-26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CCN.Cl
• Uses: 1,3-Benzodioxole-5-ethanamine Hydrochloride is used in the synthesis of bifendate derivatives as anticancer agents through Pgp inhibition. 3,4-Methylenedioxyphenethylamine hydrochloride may be used to synthesize N-(3,4-methylenedioxyphenethyl)-2-(3-bromo-4-methoxyphenyl)acetamide.

Technology Process of 3,4-Methylenedioxyphenethylamine hydrochloride

There total 6 articles about 3,4-Methylenedioxyphenethylamine 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: 74.0%

(2-Benzo[1,3]dioxol-5-yl-ethyl)-phosphoramidic acid diisopropyl ester (87212-43-9) → homopiperonylamine hydrochloride (1653-64-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 15 ℃; for 24h; acid degradation;

Reference yield: 58.0%

2-oxo-2-phenylethyl (2-(benzo[d][1,3]dioxol-5-yl)ethyl)-carbamate → homopiperonylamine hydrochloride (1653-64-1)

Guidance literature:

2-oxo-2-phenylethyl (2-(benzo[d][1,3]dioxol-5-yl)ethyl)-carbamate; With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid; In water; acetonitrile; at 20 ℃; for 3h; Sealed tube; Irradiation; Inert atmosphere;

With hydrogenchloride; In diethyl ether; Inert atmosphere;

DOI:10.1021/acs.joc.8b00096

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + (E)-N-(2-(benzo[d][1,3]-dioxol-5-yl)ethyl)-1-(2,3-dimethoxy phenyl)methanimine → homopiperonylamine hydrochloride (1653-64-1) + 2,3-dimethyoxybenzaldehyde (86-51-1)

Guidance literature:

upstream raw materials:

(2-Benzo[1,3]dioxol-5-yl-ethyl)-phosphoramidic acid diisopropyl ester

hydrogenchloride

dimethylenecyclourethane

piperonal

Downstream raw materials:

3,4-methylenedioxyphenethyl alcohol

pseudocoptisine chloride

N-(2-(benzo[d] [1,3]dioxol-5-yl)ethyl)-2-(2-bromo-4,5-dimethoxyphenyl)acetamide

5-(4-bromobenzyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline oxalate

Refernces

• 1、 -. "Method for preparing homopiperonylamine hydrochloride and berberine". Paragraph 0036; 0037; 0038; 0039; 0040-0090. . Retrieved 2019/02/25.
• 2、 Zhao, Yu-Fen,Ji, Gai-Jiao,Xi, She-Kang,Tang, Hue-Gong,Song, Ai-Teng,Wei, Shou-Zuo. "THE APPLICATION OF DIALKYLPHOSPHITE AS THE AMINO PROTECTION REAGENT IN ORGANIC SYNTHESIS". . p. 155 - 158. Retrieved 2007/10/02.