ETHYL 3-AMINO-3-(1,3-BENZODIOXOL-5-YL)PROPANOATE HYDROCHLORIDE

Base Information

• Chemical Name: ETHYL 3-AMINO-3-(1,3-BENZODIOXOL-5-YL)PROPANOATE HYDROCHLORIDE
• CAS No.: 149498-94-2
• Molecular Formula: C12H16ClNO4
• Molecular Weight: 273.71
• Hs Code.: 2932999099
• Mol file: 149498-94-2.mol

Synonyms:BIO-FARMA BF001831;ETHYL 3-AMINO-3-(1,3-BENZODIOXOL-5-YL)PROPANOATE HYDROCHLORIDE;3-AMINO-3-BENZO[1,3]DIOXOL-5-YL-PROPIONIC ACIDETHYL ESTER HYDROCHLORIDE

Chemical Property of ETHYL 3-AMINO-3-(1,3-BENZODIOXOL-5-YL)PROPANOATE HYDROCHLORIDE

Chemical Property:

• PSA: 70.78000
• LogP: 2.87060

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-3-benzo[1,3]dioxol-5-yl-propionicacidethylester,HydrochloricAcidSalt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester, HCl

Technology Process of ETHYL 3-AMINO-3-(1,3-BENZODIOXOL-5-YL)PROPANOATE HYDROCHLORIDE

There total 3 articles about ETHYL 3-AMINO-3-(1,3-BENZODIOXOL-5-YL)PROPANOATE 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: 92.0%

ethanol (64-17-5) + (S)-3-amino-3-(3,4-methylenedioxyphenyl)propionic acid (129042-60-0,72071-75-1) → ethyl 3-amino-3-(1,3-benzodioxol-5-yl)-propanoate hydrochloride (149498-94-2)

Guidance literature:

With thionyl chloride; for 1h; Heating;

DOI:10.1016/j.tetasy.2008.08.009

Reference yield:

piperonal (120-57-0,30024-74-9) → ethyl 3-amino-3-(1,3-benzodioxol-5-yl)-propanoate hydrochloride (149498-94-2)

Guidance literature:

With ammonium acetate; malonic acid; In hydrogenchloride; ethanol;

Reference yield:

piperonal (120-57-0,30024-74-9) → ethyl 3-amino-3-(1,3-benzodioxol-5-yl)-propanoate hydrochloride (149498-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₄OAc / ethanol / 20 h / Heating

2: HCl (gas)

With hydrogenchloride; ammonium acetate; In ethanol;

DOI:10.1021/jm00013a014

upstream raw materials:

ethanol

(S)-3-amino-3-(3,4-methylenedioxyphenyl)propionic acid

piperonal

Downstream raw materials:

ethyl β-[[4-[[4-(aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-1,3-benzodioxole-5-propanoate

ethyl (R)-3-amino-3-benzo[1,3]dioxol-5-ylpropanoate

(S)-3-amino-3-(piperon-3-yl)propanoic acid

ethyl 3-(1,3-benzodioxol-5-yl)-3-{[2-(4-(4-cyano-phenyl)-2-oxopiperazino)acetyl]amino}propanoate