2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

Base Information

Chemical Name:2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CAS No.:626205-17-2
Molecular Formula:C15H17NO3
Molecular Weight:259.305
Hs Code.:
DSSTox Substance ID:DTXSID50354823
Wikidata:Q82133271
ChEMBL ID:CHEMBL1456619
Mol file:626205-17-2.mol

Synonyms:626205-17-2;2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid;2-cyclohexyl-3-oxoisoindoline-4-carboxylic acid;2-cyclohexyl-3-oxo-1H-isoindole-4-carboxylic acid;TimTec1_007118;MLS000120711;SCHEMBL834012;CHEMBL1456619;DTXSID50354823;HMS1554D12;HMS2242I12;HMS3440D13;AKOS000300281;SB64870;SMR000097553;CS-0359205;2-cyclohexyl-3-oxoisoindoline-4-carboxylicacid;2-Cyclohexyl-3-oxo-4-isoindolinecarboxylic acid, AldrichCPR;2-cyclohexyl-3-oxo-2,3-dihydro-1 h-isoindole-4-carboxylic acid

Suppliers and Price of 2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-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

Matrix Scientific
2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
1g
$ 378.00

Crysdot
2-Cyclohexyl-3-oxoisoindoline-4-carboxylicacid 97%
5g
$ 874.00

Chemenu
2-Cyclohexyl-3-oxoisoindoline-4-carboxylicacid 95%+
5g
$ 825.00

American Custom Chemicals Corporation
2-CYCLOHEXYL-3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID 95.00%
500MG
$ 762.30

Total 3 raw suppliers

Chemical Property of 2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

Chemical Property:

Melting Point:245-246 °C(Solv: isopropanol (67-63-0); N,N-dimethylformamide (68-12-2))
Boiling Point:491.4±45.0 °C(Predicted)
PKA:3.70±0.20(Predicted)
PSA：57.61000
Density:1.304±0.06 g/cm3(Predicted)
LogP:2.61120
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:259.12084340
Heavy Atom Count:19
Complexity:376

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:

Useful:

Canonical SMILES:C1CCC(CC1)N2CC3=C(C2=O)C(=CC=C3)C(=O)O

Technology Process of 2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

There total 3 articles about 2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-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: 37.0%

: 1212312-56-5
(1S,5R,6S,7R)-3-Cyclohexyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0^1,5]dec-8-ene-6-carboxylic acid

: 626205-17-2
2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

Guidance literature:: With phosphoric acid; at 70 - 100 ℃; for 1h;
DOI:10.1023/B:COHC.0000023763.75894.63

Reference yield:

: 4439-54-7
N-cyclohexan-1-(furan-2-yl)methanamine

: 626205-17-2
2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / benzene / 25 °C

2: 37 percent / phosphoric acid / 1 h / 70 - 100 °C

With phosphoric acid; In benzene; 1: Diels-Alder reaction;
DOI:10.1023/B:COHC.0000023763.75894.63

Reference yield:

: 69819-61-0
N-(furan-2-ylmethylene)cyclohexanamine

: 626205-17-2
2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: NaBH₄ / ethanol

2: 90 percent / benzene / 25 °C

3: 37 percent / phosphoric acid / 1 h / 70 - 100 °C

With sodium tetrahydroborate; phosphoric acid; In ethanol; benzene; 2: Diels-Alder reaction;
DOI:10.1023/B:COHC.0000023763.75894.63