4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Base Information

Chemical Name:4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CAS No.:139051-78-8
Molecular Formula:C₁₇H₁₅Cl₂N₃O₃
Molecular Weight:380.23
Hs Code.:2933499090
ChEMBL ID:CHEMBL512824
DSSTox Substance ID:DTXSID90874898
Wikidata:Q27163443
Mol file:139051-78-8.mol

Synonyms:4-trans-2-carboxy-5,7-dichloro-4-phenylaminocarbonylamino-1,2,3,4-tetrahydroquinoline;L 689560;L-689,560;L-689560;trans-2-carboxy-5,7-dichloro-4-(((phenylamino)carbonyl)amino)-1,2,3,4-tetrahydroquinoline

Suppliers and Price of 4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-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

Usbiological
L-689,560
1mg
$ 319.00

TRC
L-689,560
2.5mg
$ 110.00

TRC
L-689,560
1mg
$ 55.00

Tocris
L-689,560 ≥99%(HPLC)
10
$ 212.00

Tocris
L-689,560 ≥99%(HPLC)
50
$ 891.00

ApexBio Technology
L-689,560
10mg
$ 314.00

ApexBio Technology
L-689,560
50mg
$ 1322.00

American Custom Chemicals Corporation
(2S,4R)-5,7-DICHLORO-4-(3-PHENYL-UREIDO)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID 95.00%
50MG
$ 1291.58

American Custom Chemicals Corporation
(2S,4R)-5,7-DICHLORO-4-(3-PHENYL-UREIDO)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID 95.00%
10MG
$ 714.32

Total 9 raw suppliers

Chemical Property of 4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Chemical Property:

Vapor Pressure:6.81E-13mmHg at 25°C
Melting Point:172-173°C
Boiling Point:549.1°C at 760 mmHg
Flash Point:285.9°C
PSA：90.46000
Density:1.51g/cm³
LogP:4.72690
Storage Temp.:Store at RT
Solubility.:<9.51mg/ml in DMSO; <38.02mg/ml in ethanol
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:379.0490467
Heavy Atom Count:25
Complexity:502

Purity/Quality:

98%Min ^*data from raw suppliers

L-689,560 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C2=C(C=C(C=C2Cl)Cl)NC1C(=O)O)NC(=O)NC3=CC=CC=C3
Uses L-689,560 is a potent antagonist at the glycine-NMDA receptor site.

Technology Process of 4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

There total 15 articles about 4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-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: 85.0%

: 356042-23-4
trans-5,7-dichloro-4-[[(phenylamino)carbonyl]amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid methyl ester

: 199591-86-1,139051-78-8
(2R,4S)-rel-5,7-dichloro-1,2,3,4-tetrahydro-4-[[(phenylamino)carbonyl]amino]-2-quinolinecarboxylic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran;
DOI:10.1021/ja010654n

Reference yield:

: methyl trans-4-amino-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylate hydrochloride

: 199591-86-1,139051-78-8
(2R,4S)-rel-5,7-dichloro-1,2,3,4-tetrahydro-4-[[(phenylamino)carbonyl]amino]-2-quinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / triethylamine / CH₂Cl₂

2: 85 percent / aq. LiOH / tetrahydrofuran

With lithium hydroxide; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ja010654n