5-(Methylthio)-1H-pyrrole-2-carbaldehyde

Base Information

Chemical Name:5-(Methylthio)-1H-pyrrole-2-carbaldehyde
CAS No.:90724-50-8
Molecular Formula:C6H7NOS
Molecular Weight:141.19088
Hs Code.:
DSSTox Substance ID:DTXSID901267997
Nikkaji Number:J1.053.427E
Mol file:90724-50-8.mol

Synonyms:90724-50-8;1H-Pyrrole-2-carboxaldehyde,5-(methylthio)-;5-(Methylthio)-1H-pyrrole-2-carbaldehyde;5-(METHYLSULFANYL)-1H-PYRROLE-2-CARBALDEHYDE;DTXSID901267997;AKOS006276550;5-(Methylthio)-1H-pyrrole-2-carboxaldehyde;EN300-7234079;Z1198158851

Suppliers and Price of 5-(Methylthio)-1H-pyrrole-2-carbaldehyde

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
1H-PYRROLE-2-CARBOXALDEHYDE,5-(METHYLTHIO)- 95.00%
5MG
$ 500.82

AccelPharmtech
5-(methylthio)-1H-Pyrrole-2-carboxaldehyde 97.00%
5G
$ 2180.00

Total 4 raw suppliers

Chemical Property of 5-(Methylthio)-1H-pyrrole-2-carbaldehyde

Chemical Property:

PSA：58.16000
LogP:1.54910
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:141.02483502
Heavy Atom Count:9
Complexity:107

Purity/Quality:

99% ^*data from raw suppliers

1H-PYRROLE-2-CARBOXALDEHYDE,5-(METHYLTHIO)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC=C(N1)C=O

Technology Process of 5-(Methylthio)-1H-pyrrole-2-carbaldehyde

There total 7 articles about 5-(Methylthio)-1H-pyrrole-2-carbaldehyde 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%

: 53391-61-0
2-methylthiopyrrole

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 90724-50-8
5-methylthio-1H-pyrrole-2-carboxaldehyde

Guidance literature:: 2-methylthiopyrrole; N,N-dimethyl-formamide; With trichlorophosphate; In 1,2-dichloro-ethane;

With sodium acetate; In water;
DOI:10.1002/jhet.1571

Reference yield:

: 931-34-0
5-bromo-1H-pyrrole-2-carbaxaldehyde

: 90724-50-8
5-methylthio-1H-pyrrole-2-carboxaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 52 percent / ethanol / 20 h / Heating

2: 1.) t-BuLi, 3.) aq. NaOAc

With tert.-butyl lithium; sodium acetate; In ethanol;

Reference yield:

: 2-bromo-6-(diisopropylamino)-1-azafulvene

: 90724-50-8
5-methylthio-1H-pyrrole-2-carboxaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: -78 °C

2: 2) NaOAc / 1) from -78 deg C to RT; 2) water, 15 h, reflux

With sodium acetate;
DOI:10.1002/hlca.19880710823