2-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone hydrochloride

Base Information

• Chemical Name: 2-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone hydrochloride
• CAS No.: 35970-31-1
• Molecular Formula: C10H12ClNO3
• Molecular Weight: 229.663
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50588641
• Mol file: 35970-31-1.mol

Synonyms:35970-31-1;2-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone hydrochloride;2-AMINO-1-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-ETHANONE HYDROCHLORIDE;2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one hydrochloride;2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride;SCHEMBL4195016;DTXSID50588641;QQOCJGFHQBCQNE-UHFFFAOYSA-N;STK926281;AKOS005132998;MCULE-7479306530;SB36814;DB-260631;2-Amino-3',4'-(ethylenedioxy)acetophenone HCl;EN300-23950048;SR-01000398677;SR-01000398677-1;2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone hydrochloride;2-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one--hydrogen chloride (1/1)

Chemical Property of 2-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone hydrochloride

Chemical Property:

• Melting Point: 247-248 °C(Solv: water (7732-18-5); methanol (67-56-1))
• PSA: 61.55000
• LogP: 2.10150
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.0505709
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

2-AMINO-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ETHANONE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CN.Cl

Technology Process of 2-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone hydrochloride

There total 4 articles about 2-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone 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: 97.0%

2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (4629-54-3) → 2-amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one hydrochloride (35970-31-1)

Guidance literature:

2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; With hexamethylenetetramine; for 0.5h;

With hydrogenchloride; In ethanol; for 2h; Heating;

DOI:10.1016/j.bmcl.2020.127209

Reference yield:

2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one (93439-37-3) → 2-amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one hydrochloride (35970-31-1)

Guidance literature:

2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one; With hexamethylenetetramine; In dichloromethane; for 10h; Reflux;

With hydrogenchloride; In isopropyl alcohol; at 40 - 50 ℃; for 7h;

Reference yield:

1,4-benzodioxan-6-yl methyl ketone (2879-20-1) → 2-amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one hydrochloride (35970-31-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: phosphorus tribromide / methanol; dichloromethane / 10 h / 20 °C

2.1: hexamethylenetetramine / 0.5 h

2.2: 2 h / Heating

With hexamethylenetetramine; phosphorus tribromide; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2020.127209

upstream raw materials:

2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one

2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

1,4-benzodioxan-6-yl methyl ketone

Downstream raw materials:

(1R,2R)-octanoic acid [2-(2',3'-dihydro-benzo[1,4]dioxin-6'-yl)-2-hydroxy-1-pyrrolidin-1-ylmethyl-ethyl]-amide