3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid

Base Information

Chemical Name:3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid
CAS No.:51672-79-8
Molecular Formula:C₁₀H₉N₃O₃
Molecular Weight:219.2
Hs Code.:
ChEMBL ID:CHEMBL4211548
DSSTox Substance ID:DTXSID80401172
Wikidata:Q72498554
Mol file:51672-79-8.mol

Synonyms:3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid;51672-79-8;3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid;CHEMBL4211548;MFCD02926470;3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid;3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoic acid;Oprea1_685647;SCHEMBL1845784;DTXSID80401172;BDBM50455893;AKOS001204334;LS-04923;FT-0684278;EN300-23489;SR-01000388733;SR-01000388733-1;F0914-0125;Z149094856;3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoicacid;3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOICACID;3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid, AldrichCPR

Suppliers and Price of 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic 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

TRC
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoicAcid
25mg
$ 45.00

Matrix Scientific
3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid
500mg
$ 237.00

Crysdot
3-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoicacid 95+%
5g
$ 752.00

Chemenu
3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoicacid 95%
5g
$ 711.00

American Custom Chemicals Corporation
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID 95.00%
1G
$ 721.57

American Custom Chemicals Corporation
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID 95.00%
5G
$ 1168.42

American Custom Chemicals Corporation
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID 95.00%
2.5G
$ 983.88

Alichem
3-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoicacid
5g
$ 813.20

Total 12 raw suppliers

Chemical Property of 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid

Chemical Property:

Vapor Pressure:2.25E-08mmHg at 25°C
Melting Point:194-197 °C
Boiling Point:436 °C at 760 mmHg
PKA:4.30±0.10(Predicted)
Flash Point:217.5 °C
PSA：85.08000
Density:1.47 g/cm³
LogP:0.26620
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:219.06439116
Heavy Atom Count:16
Complexity:329

Purity/Quality:

98%Min ^*data from raw suppliers

3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)O

Technology Process of 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid

There total 3 articles about 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic 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:

: 13135-92-7
3-<(2-Aminobenzoyl)amino>propansaeure

: 51672-79-8
3-(4-Oxo-1,2,3-benzotriazin-3-yl)propionsaeure

Guidance literature:: With hydrogenchloride; sodium nitrite; In water; Yield given;
DOI:10.1002/hlca.19850680410

Reference yield:

: 118-48-9
isatoic anhydride

: 51672-79-8
3-(4-Oxo-1,2,3-benzotriazin-3-yl)propionsaeure

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / H₂O / 1 h / 30 - 40 °C

2: conc. HCl, NaNO₂ / H₂O

With hydrogenchloride; triethylamine; sodium nitrite; In water;
DOI:10.1002/hlca.19850680410