2,3-Dihydro-1,4-benzodioxine-2-carbothioamide

Base Information

Chemical Name:2,3-Dihydro-1,4-benzodioxine-2-carbothioamide
CAS No.:147031-85-4
Molecular Formula:C₉H₉NO₂S
Molecular Weight:195.242
Hs Code.:2932999099
DSSTox Substance ID:DTXSID00381265
Nikkaji Number:J516.313G
ChEMBL ID:CHEMBL1550139
Mol file:147031-85-4.mol

Synonyms:2,3-dihydro-1,4-benzodioxine-2-carbothioamide;147031-85-4;1,4-Benzodioxane-2-thiocarboxamide;2,3-dihydro-1,4-benzodioxine-3-carbothioamide;1,4-Benzodioxin-2-carbothioamide, 2,3-dihydro-;Maybridge1_004986;Oprea1_741865;MLS001047527;SCHEMBL2307137;CHEMBL1550139;HMS555K14;DTXSID00381265;MFCD00084889;STK834199;AKOS001637369;AS-67181;SMR000425426;CS-0306559;FT-0609633;2,3-Dihydro-1,4-benzodioxin-2-carbothioamide;EN300-1867539;SR-01000465339;2,3-Dihydrobenzo[b][1,4]dioxine-2-carbothioamide;SR-01000465339-1;W-205648;2,3-Dihydro-benzo[1,4]dioxine-2-carbothioic acid amide

Suppliers and Price of 2,3-Dihydro-1,4-benzodioxine-2-carbothioamide

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

American Custom Chemicals Corporation
2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOTHIOAMIDE 95.00%
5G
$ 1170.31

Alfa Aesar
1,4-Benzodioxane-2-thiocarboxamide, 97%
5g
$ 293.00

Alfa Aesar
1,4-Benzodioxane-2-thiocarboxamide, 97%
1g
$ 93.30

Alfa Aesar
1,4-Benzodioxane-2-thiocarboxamide, 97%
250mg
$ 39.80

Total 13 raw suppliers

Chemical Property of 2,3-Dihydro-1,4-benzodioxine-2-carbothioamide

Chemical Property:

Vapor Pressure:9.62E-05mmHg at 25°C
Melting Point:180 °C
Refractive Index:1.644
Boiling Point:338.7 °C at 760 mmHg
Flash Point:158.7 °C
PSA：76.57000
Density:1.349 g/cm³
LogP:1.81280
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.03539970
Heavy Atom Count:13
Complexity:210

Purity/Quality:

98%min ^*data from raw suppliers

2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC2=CC=CC=C2O1)C(=S)N

Technology Process of 2,3-Dihydro-1,4-benzodioxine-2-carbothioamide

There total 1 articles about 2,3-Dihydro-1,4-benzodioxine-2-carbothioamide 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: 95.0%

: 1008-92-0
2-cyano-1,4-benzodioxane

: 147031-85-4
2,3-dihydro-1,4-benzodioxine-2-carbothioamide

Guidance literature:: With hydrogen sulfide; triethylamine; In pyridine; for 24h; Ambient temperature;
DOI:10.1016/0223-5234(92)90111-D

Reference yield:

: 35158-39-5
3-bromo-3-(4-chlorobenzoyl)propionic acid

: 147031-85-4
2,3-dihydro-1,4-benzodioxine-2-carbothioamide

: 1214879-49-8
C₁₉H₁₄ClNO₄S

Guidance literature:: In N,N-dimethyl-formamide; at 100 ℃; Microwave irradiation;
DOI:10.1016/j.bmcl.2009.12.015

Reference yield:

: 147031-85-4
2,3-dihydro-1,4-benzodioxine-2-carbothioamide

: 175203-34-6
BI-9C₁

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 90 °C

2: aq. NaOH / methanol / 20 °C

With sodium hydroxide; In methanol; ethanol;
DOI:10.1248/cpb.53.437