3-isopropyl-3H-benzotriazole-5-carboxylic acid

Base Information

Chemical Name:3-isopropyl-3H-benzotriazole-5-carboxylic acid
CAS No.:467235-05-8
Molecular Formula:C₁₀H₁₁N₃O₂
Molecular Weight:205.216
Hs Code.:
DSSTox Substance ID:DTXSID80468189
Wikidata:Q82295308
Mol file:467235-05-8.mol

Synonyms:467235-05-8;3-isopropyl-3H-benzotriazole-5-carboxylic acid;3-propan-2-ylbenzotriazole-5-carboxylic Acid;1-ISOPROPYL-1H-BENZO[D][1,2,3]TRIAZOLE-6-CARBOXYLIC ACID;SCHEMBL6184550;DTXSID80468189;SCPIIACVIRPBIK-UHFFFAOYSA-N;AKOS017553670;AB50540;EN300-5278837;1H-Benzotriazole-6-carboxylicacid,1-(1-methylethyl)-;1-(propan-2-yl)-1H-1,2,3-benzotriazole-6-carboxylic acid

Suppliers and Price of 3-isopropyl-3H-benzotriazole-5-carboxylic acid

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-CARBOXYLIC ACID 95.00%
5MG
$ 503.93

Total 6 raw suppliers

Chemical Property of 3-isopropyl-3H-benzotriazole-5-carboxylic acid

Chemical Property:

Melting Point:229-230°C
PSA：68.01000
LogP:1.71040
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:205.085126602
Heavy Atom Count:15
Complexity:257

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-isopropyl-3H-benzotriazole-5-carboxylic acid

There total 3 articles about 3-isopropyl-3H-benzotriazole-5-carboxylic acid 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:

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

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

: 619-05-6
3,4-diaminobenzoic acid

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

Guidance literature:: With sodium tris(acetoxy)borohydride; acetic acid; sodium nitrite; In tetrahydrofuran; hydrogenchloride; water; acetone;

Reference yield:

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

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

Guidance literature:: With hydrogenchloride; sodium nitrite; at 0 ℃; for 1h;
DOI:10.1021/jm050346q

Reference yield:

: 619-05-6
3,4-diaminobenzoic acid

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

Guidance literature:: Multi-step reaction with 2 steps

1.1: tetrahydrofuran; dimethylformamide / 2 h / 22 °C

1.2: 36 percent / NaBH(OAc)3 / dimethylformamide; tetrahydrofuran / 2.5 h

2.1: NaNO₂; aq. HCl / 1 h / 0 °C

With hydrogenchloride; sodium nitrite; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm050346q