[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid

Base Information

Chemical Name:[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid
CAS No.:26165-63-9
Molecular Formula:C14H15NO2
Molecular Weight:229.279
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40354236
Wikidata:Q82132266
ChEMBL ID:CHEMBL209974
Mol file:26165-63-9.mol

Synonyms:26165-63-9;[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid;2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid;2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetic acid;2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetic acid;Benzeneacetic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-;[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid;(4-(2,5-dimethyl-1h-pyrrol-1-yl)phenyl)acetic acid;Interchim compound 58;[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]-ACETIC ACID;CBMicro_005721;ChemDiv2_000574;Oprea1_430537;Oprea1_575327;CHEMBL209974;BDBM11996;DTXSID40354236;HMS1370K02;BBA16563;SMSF0010529;MFCD01874280;STK095503;AKOS000142329;CB07852;SB63897;BS-16752;BIM-0005448.P001;BB 0217844;CS-0153096;EN300-51017;D82214;N-(4-Carboxymethene)phenyl-2,5-dimethylpyrrole;SR-01000430218;SR-01000430218-1;4-(2,5-Dimethyl-1H-pyrrol-1-yl)-phenyl acetic acid;BRD-K22150193-001-01-7;2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)aceticacid;[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid, AldrichCPR

Suppliers and Price of [4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic 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

TRC
[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-aceticAcid
50mg
$ 90.00

TRC
[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-aceticAcid
250mg
$ 350.00

Matrix Scientific
[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid
500mg
$ 184.00

Matrix Scientific
[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid
1g
$ 283.00

Matrix Scientific
[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid
5g
$ 435.00

Crysdot
2-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)aceticacid 97%
5g
$ 802.00

American Custom Chemicals Corporation
[4-(2,5-DIMETHYL-PYRROL-1-YL)-PHENYL]-ACETIC ACID 95.00%
5G
$ 1506.05

American Custom Chemicals Corporation
[4-(2,5-DIMETHYL-PYRROL-1-YL)-PHENYL]-ACETIC ACID 95.00%
2.5G
$ 1201.49

American Custom Chemicals Corporation
[4-(2,5-DIMETHYL-PYRROL-1-YL)-PHENYL]-ACETIC ACID 95.00%
1G
$ 837.99

Ambeed
2-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)aceticacid 97%
1g
$ 202.00

Total 7 raw suppliers

Chemical Property of [4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid

Chemical Property:

Melting Point:110-112 °C
Boiling Point:401.2±33.0 °C(Predicted)
PKA:4.08±0.10(Predicted)
PSA：42.23000
Density:1.12±0.1 g/cm3(Predicted)
LogP:2.72120
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:229.110278721
Heavy Atom Count:17
Complexity:261

Purity/Quality:

97% ^*data from raw suppliers

[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-aceticAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 37/38-41
Safety Statements: 26-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(N1C2=CC=C(C=C2)CC(=O)O)C

Technology Process of [4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid

There total 8 articles about [4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic 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: 88.0%

: 1197-55-3
4-aminophenylacetic acid

: 110-13-4
2,5-hexanedione

: 26165-63-9
2-<4-(2,5-dimethylpyrrol-1-yl)phenyl>ethanoic acid

Guidance literature:: With acetic acid; In benzene; for 4h; Heating;

Reference yield:

: 1-(4-[1,3]Dithian-2-ylmethyl-phenyl)-2,5-dimethyl-1H-pyrrole

: 26165-63-9
2-<4-(2,5-dimethylpyrrol-1-yl)phenyl>ethanoic acid

Guidance literature:: With potassium hydroxide; In methanol; for 2h; Yield given; Heating;

Reference yield:

: 5044-24-6
1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole

: 26165-63-9
2-<4-(2,5-dimethylpyrrol-1-yl)phenyl>ethanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 93 percent / n-BuLi / hexane; diethyl ether / 1.) -20 deg C, 50 min, 2.) - 20 deg C, 1 h, 3.) 2 h

2: 74 percent / n-BuLi / hexane; tetrahydrofuran / 1.) -20 deg C --> 0 deg C, 45 min, 2.) 12 h

3: HgCl₂ / methanol; H₂O / 4 h / Heating

4: KOH / methanol / 2 h / Heating

With potassium hydroxide; n-butyllithium; mercury dichloride; In tetrahydrofuran; methanol; diethyl ether; hexane; water;