1-Isopropyl-1H-benzo[D][1,2,3]triazole-5-carbaldehyde

Base Information

Chemical Name:1-Isopropyl-1H-benzo[D][1,2,3]triazole-5-carbaldehyde
CAS No.:467235-07-0
Molecular Formula:C10H11N3O
Molecular Weight:189.217
Hs Code.:
DSSTox Substance ID:DTXSID90601762
Wikidata:Q82498575
Mol file:467235-07-0.mol

Synonyms:467235-07-0;1-ISOPROPYL-1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE;SCHEMBL1021716;DTXSID90601762;1-(PROPAN-2-YL)-1H-1,2,3-BENZOTRIAZOLE-6-CARBALDEHYDE;AKOS006229329;DB-126929;1-(Propan-2-yl)-1H-benzotriazole-5-carbaldehyde

Suppliers and Price of 1-Isopropyl-1H-benzo[D][1,2,3]triazole-5-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
1-ISOPROPYL-1H-BENZO[D][1,2,3]TRIAZOLE-6-CARBALDEHYDE 95.00%
5MG
$ 505.79

Total 3 raw suppliers

Chemical Property of 1-Isopropyl-1H-benzo[D][1,2,3]triazole-5-carbaldehyde

Chemical Property:

PSA：47.78000
LogP:1.82470
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:189.090211983
Heavy Atom Count:14
Complexity:219

Purity/Quality:

97% ^*data from raw suppliers

1-ISOPROPYL-1H-BENZO[D][1,2,3]TRIAZOLE-6-CARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1C2=C(C=C(C=C2)C=O)N=N1

Technology Process of 1-Isopropyl-1H-benzo[D][1,2,3]triazole-5-carbaldehyde

There total 5 articles about 1-Isopropyl-1H-benzo[D][1,2,3]triazole-5-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: 67.0%

: 467235-06-9
3-isopropyl-3H-benzotriazole-5-carboxylic acid methoxy methyl amide

: 467235-07-0
3-isopropyl-3H-benzotriazole-5-carbaldehyde

Guidance literature:: With diisobutylaluminium hydride; In toluene; at -78 ℃; for 1.5h;
DOI:10.1021/jm050346q

Reference yield:

: 467235-05-8
3-isopropyl-3H-benzotriazole-5-carboxylic acid

: 467235-07-0
3-isopropyl-3H-benzotriazole-5-carbaldehyde

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride; DMF / CH₂Cl₂ / 5 h / 22 °C

2: 1.32 g / N,N-diisopropylethylamine / CH₂Cl₂; dimethylformamide / 16 h / 22 °C

3: 67 percent / DIBAL-H / toluene / 1.5 h / -78 °C

With oxalyl dichloride; diisobutylaluminium hydride; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; In dichloromethane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm050346q

Reference yield:

: 467235-04-7
4-amino-3-isopropylaminobenzoic acid

: 467235-07-0
3-isopropyl-3H-benzotriazole-5-carbaldehyde

Guidance literature:: Multi-step reaction with 4 steps

1: NaNO₂; aq. HCl / 1 h / 0 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 5 h / 22 °C

3: 1.32 g / N,N-diisopropylethylamine / CH₂Cl₂; dimethylformamide / 16 h / 22 °C

4: 67 percent / DIBAL-H / toluene / 1.5 h / -78 °C

With hydrogenchloride; oxalyl dichloride; diisobutylaluminium hydride; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; sodium nitrite; In dichloromethane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm050346q