3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid

Base Information

Chemical Name:3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid
CAS No.:160205-15-2
Molecular Formula:C₇H₉N₃O₂
Molecular Weight:167.167
Hs Code.:
European Community (EC) Number:865-682-1
DSSTox Substance ID:DTXSID80434081
Nikkaji Number:J620.831B
Mol file:160205-15-2.mol

Synonyms:160205-15-2;3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid;5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylicacid,6,7-dihydro-3-methyl-(9CI);3-METHYL-5H,6H,7H-PYRROLO[2,1-C][1,2,4]TRIAZOLE-5-CARBOXYLIC ACID;SCHEMBL1155897;DTXSID80434081;PCTUHZHKVNSBPJ-UHFFFAOYSA-N;CS-0256459;EN300-6489289;Z1255503410;3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylic acid

Suppliers and Price of 3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-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

AK Scientific
3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylicacid
1mg
$ 262.00

Total 3 raw suppliers

Chemical Property of 3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid

Chemical Property:

Boiling Point:445.1±47.0 °C(Predicted)
PKA:2.82±0.20(Predicted)
PSA：68.01000
Density:1.63±0.1 g/cm3(Predicted)
LogP:0.15840
XLogP3:0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:167.069476538
Heavy Atom Count:12
Complexity:209

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN=C2N1C(CC2)C(=O)O

Technology Process of 3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid

There total 5 articles about 3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-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: 83.0%

: 160205-11-8
3-Methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid methyl ester

: 160205-15-2
3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid

Guidance literature:: With sodium hydroxide; at 60 ℃;
DOI:10.1080/00397919408011318

Reference yield:

: 137131-35-2
5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid methyl ester

: 160205-15-2
3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / methanol / 1 h / 40 °C

2: 85 percent / Et₃N / Heating

3: 92 percent / triflic acid / chlorobenzene / 4 h / 90 °C

4: 83 percent / 1N aq. NaOH / 60 °C

With sodium hydroxide; trifluorormethanesulfonic acid; triethylamine; In methanol; chlorobenzene;
DOI:10.1080/00397919408011318

Reference yield:

: 160205-08-3
5-(Acetyl-hydrazono)-pyrrolidine-2-carboxylic acid methyl ester

: 160205-15-2
3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / Et₃N / Heating

2: 92 percent / triflic acid / chlorobenzene / 4 h / 90 °C

3: 83 percent / 1N aq. NaOH / 60 °C

With sodium hydroxide; trifluorormethanesulfonic acid; triethylamine; In chlorobenzene;
DOI:10.1080/00397919408011318