1,3-Benzodioxole-5-methanol, formate

Base Information

• Chemical Name: 1,3-Benzodioxole-5-methanol, formate
• CAS No.: 85262-96-0
• Molecular Formula: C9H8O4
• Molecular Weight: 180.1574
• NSC Number: 405156
• UNII: J6CA72JCR6
• DSSTox Substance ID: DTXSID701005753
• Wikidata: Q83001249
• Mol file: 85262-96-0.mol

Synonyms:85262-96-0;1,3-Benzodioxole-5-methanol, formate;J6CA72JCR6;NSC-405156;NSC405156;UNII-J6CA72JCR6;SCHEMBL669226;DTXSID701005753;NSC 405156;3,4-METHYLENEDIOXYBENZYL FORMATE;(2H-1,3-Benzodioxol-5-yl)methyl formate;BENZO(D)(1,3)DIOXOL-5-YLMETHYL FORMATE

Chemical Property of 1,3-Benzodioxole-5-methanol, formate

Chemical Property:

• Vapor Pressure: 0.0032mmHg at 25°C
• Boiling Point: 283.2°C at 760 mmHg
• Flash Point: 124°C
• Density: 1.313g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Benzodioxole-5-methanol, formate

There total 3 articles about 1,3-Benzodioxole-5-methanol, formate 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: 99.0%

piperonol (495-76-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → benzo[d][1,3]dioxol-5-ylmethyl formate (85262-96-0)

Guidance literature:

With fluorosulfonyl fluoride; caesium carbonate; at 20 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.orglett.9b03274

Reference yield: 64.0%

formic acid (64-18-6) + piperonol (495-76-1) → benzo[d][1,3]dioxol-5-ylmethyl formate (85262-96-0)

Guidance literature:

formic acid; With acetic anhydride; at 60 ℃; for 1h; Inert atmosphere;

piperonol; With sodium hydrogencarbonate; at 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201900700

Reference yield:

piperonol (495-76-1) → benzo[d][1,3]dioxol-5-ylmethyl formate (85262-96-0)

Guidance literature:

upstream raw materials:

piperonol

formic acid

N,N-dimethyl-formamide

Downstream raw materials:

benzo[d][1,3]dioxol-5-ylmethyl benzoate