N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide

Base Information

• Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide
• CAS No.: 40023-03-8
• Molecular Formula: C10H10 Cl N O3
• Molecular Weight: 227.647
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID10353115
• Wikidata: Q82130566
• Mol file: 40023-03-8.mol

Synonyms:N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide;40023-03-8;N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-chloroacetamide;SCHEMBL3567133;DTXSID10353115;BBL008435;MFCD02317455;STK415757;AKOS000103341;BS-10287;CS-0206002;FT-0629065;EN300-01658;SR-01000039862;N-[(1,3-dioxaindan-5-yl)methyl]-2-chloroacetamide;SR-01000039862-1;Z56889407;F2190-0213;N-[1-(3,4-methylenedioxyphenyl)methyl]-2-chloroacetamide

Chemical Property of N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide

Chemical Property:

• Vapor Pressure: 5.87E-08mmHg at 25°C
• Melting Point: 91.4oC
• Boiling Point: 440.5oC at 760 mmHg
• Flash Point: 220.2oC
• PSA: 47.56000
• Density: 1.361g/cm3
• LogP: 1.66120
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.0349209
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

N-(1,3-Benzodioxol-5-ylmethyl)-2-chloroacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)CCl

Technology Process of N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide

There total 1 articles about N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide 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:

piperonal-(Z)-oxime (20747-42-6) → N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-chloroacetamide (40023-03-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium amalgam; aqueous-alcoholic acetic acid / 50 - 70 °C

2: natrium carbonate

With sodium amalgam; sodium carbonate; acetic acid;

Reference yield: 91.0%

N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-chloroacetamide (40023-03-8) + 5-(4-nitrophenyl)amino-1,3,4-thiadiazole-2(3H)-thione → N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-((4-nitrophenyl)amino)-1,3,4-thiadiazol-2-yl)thio]acetamide

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 8h;

DOI:10.3390/molecules21081004

Reference yield: 90.0%

sodium 4-(4-nitrophenyl)piperazine-1-carbodithioate (1214753-02-2) + N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-chloroacetamide (40023-03-8) → N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-nitrophenyl)-1-piperazinylthiocarbamoylthio]acetamide

Guidance literature:

In acetone; at 20 ℃; for 6h;

DOI:10.1016/j.ejmech.2016.09.035

upstream raw materials:

piperonal-(Z)-oxime