Methyl 4-(1H-indol-2-yl)benzoate

Base Information

Chemical Name:Methyl 4-(1H-indol-2-yl)benzoate
CAS No.:485321-10-6
Molecular Formula:C16H13NO2
Molecular Weight:251.285
Hs Code.:
ChEMBL ID:CHEMBL508053
DSSTox Substance ID:DTXSID20466962
Nikkaji Number:J1.788.163I
Wikidata:Q82293664
Mol file:485321-10-6.mol

Synonyms:Methyl 4-(1H-indol-2-yl)benzoate;485321-10-6;METHYL 4-(INDOL-2-YL)BENZOATE;MFCD11976326;Benzoic acid, 4-(1h-indol-2-yl)-, methyl ester;Methyl4-(1H-indol-2-yl)benzoate;4-(1H-INDOL-2-YL)-BENZOIC ACID METHYL ESTER;Methyl 4-(2-Indolyl)benzoate;CHEMBL508053;DTXSID20466962;AMY23611;CS-B1089;AKOS016004797;CS-W000445;AS-67049;SY332599;FT-0755264;A848121

Suppliers and Price of Methyl 4-(1H-indol-2-yl)benzoate

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

Labseeker
Benzoicacid,4-(1H-indol-2-yl)-,methylester 97
1g
$ 750.00

Crysdot
Methyl4-(1H-indol-2-yl)benzoate 95+%
1g
$ 396.00

ChemScene
Methyl4-(1H-indol-2-yl)benzoate
100mg
$ 239.00

Chemenu
methyl4-(1H-indol-2-yl)benzoate 95%
1g
$ 371.00

American Custom Chemicals Corporation
METHYL-4-(1H-INDOL-2-YL)BENZOATE 95.00%
5MG
$ 502.51

Alichem
Methyl4-(1H-indol-2-yl)benzoate
1g
$ 807.45

Alichem
Methyl4-(1H-indol-2-yl)benzoate
250mg
$ 308.00

Total 21 raw suppliers

Chemical Property of Methyl 4-(1H-indol-2-yl)benzoate

Chemical Property:

Boiling Point:457.235 °C at 760 mmHg
Flash Point:230.328 °C
PSA：42.09000
Density:1.225 g/cm³
LogP:3.62150
Storage Temp.:2-8°C
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:251.094628657
Heavy Atom Count:19
Complexity:323

Purity/Quality:

97% ^*data from raw suppliers

Benzoicacid,4-(1H-indol-2-yl)-,methylester 97 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2

Technology Process of Methyl 4-(1H-indol-2-yl)benzoate

There total 14 articles about Methyl 4-(1H-indol-2-yl)benzoate 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: 88.0%

: 120-72-9
indole

: 619-44-3
methyl 4-iodobenzoate

: 485321-10-6
4-(indol-2-yl)benzoic acid methyl ester

Guidance literature:: With norborn-2-ene; dichloro bis(acetonitrile) palladium(II); potassium carbonate; In N,N-dimethyl acetamide; water; at 70 ℃; regioselective reaction;
DOI:10.1016/j.tetlet.2017.04.066

Reference yield: 85.0%

: 771-50-6
1H-indole-3-carboxylic acid

: 1203709-73-2
(4-methoxyformylphenyl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate

: 485321-10-6
4-(indol-2-yl)benzoic acid methyl ester

Guidance literature:: With palladium diacetate; In water; at 100 ℃; for 1h; regioselective reaction;
DOI:10.1002/asia.201601290

Reference yield: 84.0%

: 159970-12-4
4-(2-aminophenylethynyl)benzoic acid methyl ester

: 485321-10-6
4-(indol-2-yl)benzoic acid methyl ester

Guidance literature:: With Au/Carbon G-60 catalyst; In toluene; at 90 ℃; for 48h; Inert atmosphere; Schlenk technique;
DOI:10.1002/anie.201305579