3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Base Information

Chemical Name:3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
CAS No.:66410-67-1
Molecular Formula:C10H10O4
Molecular Weight:194.187
Hs Code.:2932999099
European Community (EC) Number:266-350-3
DSSTox Substance ID:DTXSID10216635
Nikkaji Number:J286.785K
Wikidata:Q83092891

Synonyms:66410-67-1;3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid;3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid;EINECS 266-350-3;3,4-Dihydro-2H-benzo-1,5-dioxepin-6-carboxylic acid;SDCCGMLS-0065901.P001;2H,3H,4H-benzo[b]1,4-dioxepin-6-carboxylic acid;SCHEMBL1672057;DTXSID10216635;MFCD03783556;AKOS006281421;CS-0243464;FT-0614310;EN300-263959;J-511169;3,4-Dihydro-2H-1,5-benzodioxepin-6-carboxylic acid;Z1198163140;3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-6-CARBOXYLICACID;3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylicacid;3,4-Dihydro-2H-1,5-benzodioxepine-6-carboxylic acid, AldrichCPR

Suppliers and Price of 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3,?4-?Dihydro-?2H-?1,?5-?benzodioxepine-?6-?carboxylicAcid
500mg
$ 240.00

Chemenu
3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylicacid 95%
1g
$ 608.00

American Custom Chemicals Corporation
3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-6-CARBOXYLIC ACID 95.00%
1G
$ 670.66

Alichem
3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylicacid
1g
$ 663.00

Total 10 raw suppliers

Chemical Property of 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Chemical Property:

Vapor Pressure:2.27E-05mmHg at 25°C
Melting Point:67oC
Boiling Point:345.9°Cat760mmHg
Flash Point:140.3°C
PSA：55.76000
Density:1.306g/cm³
LogP:1.54610
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:194.05790880
Heavy Atom Count:14
Complexity:216

Purity/Quality:

97% ^*data from raw suppliers

3,?4-?Dihydro-?2H-?1,?5-?benzodioxepine-?6-?carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xn
Statements: 22-36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC2=CC=CC(=C2OC1)C(=O)O
Uses 3,?4-?Dihydro-?2H-?1,?5-?benzodioxepine-?6-?carboxylic Acid is a reagent used in the synthesis of novel antifungal scaffolds for β-1,6-glucan synthesis inhibitors. Also used in the preparation ofnovel polyheterocyclic scaffolds with various applications.

Technology Process of 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

There total 4 articles about 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid 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: 91.0%

: 66410-66-0
methyl 3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylate

: 66410-67-1
3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Guidance literature:: methyl 3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylate; With methanol; sodium hydroxide; water; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In water;

Reference yield: 80.5%

: 66410-67-1
3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Guidance literature:

Reference yield:

: 2411-83-8
methyl-2,3-dihydroxybenzoate

: 66410-67-1
3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / Reflux

2: lithium hydroxide / water / 10 h / 20 °C

With potassium carbonate; lithium hydroxide; In water; N,N-dimethyl-formamide;
DOI:10.1016/j.bioorg.2020.104075