Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

Chemical Name:Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS No.:108354-78-5
Molecular Formula:C10H13NO2S
Molecular Weight:211.285
Hs Code.:2934999090
European Community (EC) Number:672-032-9
DSSTox Substance ID:DTXSID10373419
Nikkaji Number:J455.884G
Wikidata:Q82161574
ChEMBL ID:CHEMBL1632051
Mol file:108354-78-5.mol

Synonyms:108354-78-5;methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester;2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid methyl ester;CBMicro_029799;Oprea1_515014;Oprea1_612476;2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-;SCHEMBL2179728;CHEMBL1632051;DTXSID10373419;DKYYKIHEIOOWRB-UHFFFAOYSA-N;HMS1648K22;BBL005237;MFCD00130099;STK039450;AKOS000111620;FS-1352;SB66902;s10367;BIM-0029921.P001;BB 0242384;CS-0042661;EU-0099890;FT-0678120;EN300-05522;A801863;AK-968/37166331;SR-01000397768;SR-01000397768-1;Z56904670;F1443-4670;methyl-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;methyl 2-amino-4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-amino-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate;2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen e-3-carboxylic acid methyl ester;2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester, AldrichCPR

Suppliers and Price of Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

AHH
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylicacidmethylester 95%
10g
$ 345.00

AK Scientific
Methyl2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
100g
$ 482.00

AK Scientific
Methyl2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
5g
$ 104.00

Alfa Aesar
Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 98%
5g
$ 81.60

Alfa Aesar
Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 98%
25g
$ 270.00

Alichem
Methyl2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
100g
$ 320.00

Ambeed
Methyl2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 97%
100g
$ 286.00

Ambeed
Methyl2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 97%
5g
$ 34.00

Ambeed
Methyl2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 97%
25g
$ 101.00

Ambeed
Methyl2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 97%
250mg
$ 6.00

Total 38 raw suppliers

Chemical Property of Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

Appearance/Colour:light yellow solid
Vapor Pressure:1.42E-06mmHg at 25°C
Melting Point:128-131 °C
Refractive Index:1.608
Boiling Point:398.993 °C at 760 mmHg
PKA:0.52±0.20(Predicted)
Flash Point:195.104 °C
PSA：80.56000
Density:1.273 g/cm³
LogP:2.57690
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:211.06669983
Heavy Atom Count:14
Complexity:234

Purity/Quality:

99%, ^*data from raw suppliers

2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylicacidmethylester 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(SC2=C1CCCC2)N

Technology Process of Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

There total 6 articles about Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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%

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 105-34-0
methyl 2-cyanoacetate

: 108354-78-5
methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Guidance literature:: With sulfur; diethylamine; In methanol; ethanol; at 20 ℃; Sonication;
DOI:10.1016/j.ejmech.2019.02.067

Reference yield: 87.0%

: 67-56-1
methanol

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 372-09-8
cyanoacetic acid

: 108354-78-5
methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Guidance literature:: cyanoacetic acid; With dmap; poly(ethylene glycol) 3400; dicyclohexyl-carbodiimide; for 0.0833333h; microwave irradiation;

cyclohexanone; With sulfur; N-ethyl-N,N-diisopropylamine; for 0.333333h; microwave irradiation;

methanol; With potassium cyanide; at 20 ℃;