7-Methoxybenzo-1,3-dioxole-5-ethylamine

Base Information

• Chemical Name: 7-Methoxybenzo-1,3-dioxole-5-ethylamine
• CAS No.: 23693-38-1
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2932999099
• European Community (EC) Number: 245-825-9
• UNII: C68IB79RC2
• DSSTox Substance ID: DTXSID80178357
• Nikkaji Number: J242.649H
• Wikipedia: Lophophine
• Wikidata: Q15409401
• ChEMBL ID: CHEMBL159620
• Mol file: 23693-38-1.mol

Synonyms:23693-38-1;Lophophine;7-Methoxy-1,3-benzodioxole-5-ethanamine;7-Methoxybenzo-1,3-dioxole-5-ethylamine;2-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine;2-(7-methoxybenzo[d][1,3]dioxol-5-yl)ethanamine;1,3-Benzodioxole-5-ethanamine, 7-methoxy-;EINECS 245-825-9;UNII-C68IB79RC2;C68IB79RC2;MMDPEA;CHEMBL159620;SCHEMBL1043816;DTXSID80178357;STL433226;AKOS006292418;AB21006;AC-12638;3-methoxy-4,5-methylenedioxyphenethylamine;J242.649H;F17306;2-(7-methoxy-1,3-benzodioxol-5-yl)-1-ethanamine;2-(4,5-Dihydro-1H-benzo[c]azepin-2(3H)-yl)ethanol;Q15409401;2-(7-METHOXY-2H-1,3-BENZODIOXOL-5-YL)ETHAN-1-AMINE

Chemical Property of 7-Methoxybenzo-1,3-dioxole-5-ethylamine

Chemical Property:

• Boiling Point: 310 °C at 760 mmHg
• Flash Point: 153.7 °C
• PSA: 53.71000
• Density: 1.211 g/cm³
• LogP: 1.62540
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99%, ^*data from raw suppliers

7-METHOXY-1,3-BENZODIOXOLE-5-ETHANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC2=C1OCO2)CCN

Technology Process of 7-Methoxybenzo-1,3-dioxole-5-ethylamine

There total 14 articles about 7-Methoxybenzo-1,3-dioxole-5-ethylamine 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: 96.5%

2-(7-methoxybenzo[d][1,3]dioxol-5-yl)acetonitrile (36200-29-0) → β-(3-methoxy-4,5-methylenedioxy)phenylethylamine (23693-38-1)

Guidance literature:

2-(7-methoxybenzo[d][1,3]dioxol-5-yl)acetonitrile; With hydrogenchloride; hydrogen; platinum(IV) oxide; In ethanol; water; at 20 ℃; for 18h; under 2068.65 Torr;

With sodium hydroxide; In ethanol; water; pH=13 - 14;

Reference yield:

(E)-4-methoxy-6-(2-nitrovinyl)benzo[d][1,3]dioxole (15896-78-3) → β-(3-methoxy-4,5-methylenedioxy)phenylethylamine (23693-38-1)

Guidance literature:

With sulfuric acid; palladium; acetic acid; Hydrogenation;

DOI:10.1002/ardp.19352732908

Reference yield:

3-methoxy-4,5-methylenedioxybenzaldehyde (5780-07-4) → β-(3-methoxy-4,5-methylenedioxy)phenylethylamine (23693-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated aqueous hydrochloric acid / Erhitzen des Reaktionsprodukts mit Acetanhydrid

2: palladium; acetic acid; concentrated sulfuric acid / Hydrogenation

With hydrogenchloride; sulfuric acid; palladium; acetic acid;

DOI:10.1002/ardp.19312690504

upstream raw materials:

2-(7-methoxybenzo[d][1,3]dioxol-5-yl)acetonitrile

(E)-4-methoxy-6-(2-nitrovinyl)benzo[d][1,3]dioxole

3-(7-methoxy-benzo[1,3]dioxol-5-yl)-2-thioxo-propionic acid

3-methoxy-4,5-methylenedioxybenzaldehyde

Downstream raw materials:

[2-(7-methoxy-benzo[1,3]dioxol-5-yl)-ethyl]-(3-methoxy-benzyl)-amine

[2-(7-methoxy-benzo[1,3]dioxol-5-yl)-ethyl]-(3-methoxy-benzyl)-methyl-amine

N-[2-(7-methoxy-benzo[1,3]dioxol-5-yl)-ethyl]-N-(3-methoxy-benzyl)-formamide

(±)-β-N-demethyl noscapine

Refernces

• 1、 Li, Jihui,Liu, Yongxiang,Song, Xinjing,Wu, Tianxiao,Meng, Jiaxin,Zheng, Yang,Qin, Qiaohua,Zhao, Dongmei,Cheng, Maosheng. "An Acid-Catalyzed Epoxide Ring-Opening/Transesterification Cascade Cyclization to Diastereoselective Syntheses of (±)-β-Noscapine and (±)-β-Hydrastine". supporting information. p. 7149 - 7153. Retrieved 2019/09/30.