1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester

Base Information

Chemical Name:1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester
CAS No.:59435-08-4
Molecular Formula:C15H15NO3
Molecular Weight:257.289
Hs Code.:
DSSTox Substance ID:DTXSID00448504
Nikkaji Number:J1.747.112K
Wikidata:Q82267521
ChEMBL ID:CHEMBL296835

Synonyms:59435-08-4;1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester;Benzyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylate;CHEMBL296835;PYR-5084;SCHEMBL7256490;DTXSID00448504;UOKPIJWFKFLVMD-UHFFFAOYSA-N;BDBM50486979;3,4-Dimethyl-5-formyl-1H-pyrrole-2-carboxylic acid benzyl ester

Suppliers and Price of 1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester

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 2 raw suppliers

Chemical Property of 1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:257.10519334
Heavy Atom Count:19
Complexity:325

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C=O

Technology Process of 1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester

There total 4 articles about 1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester 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%

: 954-92-7
3,4-dimethyl-pyrrole-2-carboxylic acid benzyl ester

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

: 59435-08-4
benzyl 5-formyl-3,4-dimethylpyrrole-2-carboxylate

Guidance literature:: With trichlorophosphate; In dichloromethane; for 0.5h; Heating;

Reference yield:

: 4391-94-0
benzyl 5-iodo-3,4-dimethylpyrrole-2-carboxylate

: 59435-08-4
benzyl 5-formyl-3,4-dimethylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / H₂, AcONa / Adams catalyst / methanol / 3 h / Ambient temperature

2: 83 percent / POCl₃ / CH₂Cl₂ / 0.5 h / Heating

With hydrogen; sodium acetate; trichlorophosphate; platinum(IV) oxide; In methanol; dichloromethane;