(2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid

Base Information

Chemical Name:(2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid
CAS No.:12624-18-9
Molecular Formula:C₉H₉NO₅
Molecular Weight:211.174
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70564225
Nikkaji Number:J15.648E
Wikidata:Q82448847
Mol file:12624-18-9.mol

Synonyms:12624-18-9;(2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid;(S)-4-Formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid;DTXSID70564225

Suppliers and Price of (2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic 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

Total 5 raw suppliers

Chemical Property of (2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid

Chemical Property:

PSA：103.70000
LogP:-0.14450
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:211.04807239
Heavy Atom Count:15
Complexity:369

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(NC(=CC=C1C=O)C(=O)O)C(=O)O
Isomeric SMILES:C1[C@H](NC(=CC=C1C=O)C(=O)O)C(=O)O

Technology Process of (2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid

There total 5 articles about (2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic 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:

: 59-92-7,90638-38-3
levodopa

: 12624-18-9
muscaflavin (4-formyl-2,3-dihydro-1H-azepin-2,7-dicarboxylate)

Guidance literature:: In water; at 4 ℃; for 144h; enzymatic synthesis (enzyme from red skin of Amanita muscaria L_.), pH 8, (NH₄)2HPO₄ buffer;
DOI:10.1002/hlca.19910740115

Reference yield:

: 59-92-7,90638-38-3
levodopa

: 12624-18-9
muscaflavin (4-formyl-2,3-dihydro-1H-azepin-2,7-dicarboxylate)

: 18766-66-0
(2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

Guidance literature:: In water; at 4 ℃; for 96h; enzymatic synthesis (enzyme from red skin of Amanita muscaria L_.), pH 6.5 (Na₂HPO₄ buffer);
DOI:10.1002/hlca.19910740115