1-(4-Methoxycinnamoyl)-1H-benzotriazole

Base Information

Chemical Name:1-(4-Methoxycinnamoyl)-1H-benzotriazole
CAS No.:5636-43-1
Molecular Formula:C₁₈H₂₀N₂O₄S₃
Molecular Weight:424.566
Hs Code.:
DSSTox Substance ID:DTXSID50417003
Nikkaji Number:J2.312.747D
Wikidata:Q82226645
ChEMBL ID:CHEMBL3890989

Synonyms:1-(4-Methoxycinnamoyl)-1H-benzotriazole;5636-43-1;ST50775820;SCHEMBL463197;SCHEMBL463198;CHEMBL3890989;DTXSID50417003;BDBM185772;STK873849;AKOS000523069;US9162991, 15d;BIM-0026807.P001;(2E)-1-(1H-benzotriazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

Suppliers and Price of 1-(4-Methoxycinnamoyl)-1H-benzotriazole

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

Total 1 raw suppliers

Chemical Property of 1-(4-Methoxycinnamoyl)-1H-benzotriazole

Chemical Property:

Boiling Point:501.2°Cat760mmHg
Flash Point:256.9°C
Density:1.22g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:279.100776666
Heavy Atom Count:21
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C=CC(=O)N2C3=CC=CC=C3N=N2
Isomeric SMILES:COC1=CC=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3N=N2

Technology Process of 1-(4-Methoxycinnamoyl)-1H-benzotriazole

There total 4 articles about 1-(4-Methoxycinnamoyl)-1H-benzotriazole 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: 73.0%

: 667-20-9
N,N'-bis(phenylsulfonyl)sulfur diimide

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 5636-43-1
2-benzenesulfonyl-1-benzenesulfonylimino-4,5-dimethyl-1,2,3,6-tetrahydro-1λ⁴-[1,2]thiazine

Guidance literature:: In tetrahydrofuran; at 23 ℃; for 0.333333h; Sealed tube; Inert atmosphere;
DOI:10.1002/anie.201701796

Reference yield:

: 98-10-2
benzenesulfonamide

: 5636-43-1
2-benzenesulfonyl-1-benzenesulfonylimino-4,5-dimethyl-1,2,3,6-tetrahydro-1λ⁴-[1,2]thiazine

Guidance literature:: Multi-step reaction with 2 steps

1.1: thionyl chloride / benzene / 72 h / 80 °C / Inert atmosphere

1.2: 12 h / 23 °C / Inert atmosphere

2.1: tetrahydrofuran / 0.33 h / 23 °C / Sealed tube; Inert atmosphere

With thionyl chloride; In tetrahydrofuran; benzene;
DOI:10.1002/anie.201701796