Carbazol-9-yl-acetic acid

Base Information

• Chemical Name: Carbazol-9-yl-acetic acid
• CAS No.: 524-80-1
• Molecular Formula: C14H11NO2
• Molecular Weight: 225.247
• Hs Code.: 2933990090
• European Community (EC) Number: 634-869-8
• UNII: 547WS9128O
• DSSTox Substance ID: DTXSID10384666
• Nikkaji Number: J6.641I
• Wikidata: Q27261181
• ChEMBL ID: CHEMBL185432
• Mol file: 524-80-1.mol

Synonyms:524-80-1;Carbazol-9-yl-acetic acid;2-(9h-carbazol-9-yl)acetic acid;2-carbazol-9-ylacetic acid;9-Carbazoleacetic acid;9H-Carbazole-9-acetic acid;Carbazyl-N-acetic acid;2-(carbazol-9-yl)acetic acid;9-Carbazoleacetic acid [MI];9-(Carboxymethyl)-9H-carbazole;MFCD00439433;CHEMBL185432;UNII-547WS9128O;547WS9128O;(9-Carbazolyl)acetic acid;9-(Carboxymethyl)carbazole;9-carbazolylacetic acid;Carbazol-9-yl-aceticacid;Maybridge3_003096;Oprea1_004081;Oprea1_866351;2-(9-carbazolyl)acetic acid;2-carbazol-9-ylethanoic acid;MLS000703586;SCHEMBL150053;2-(9h-carbazol-9-yl)aceticacid;DTXSID10384666;PBDMLLFEZXXJNE-UHFFFAOYSA-N;HMS1439M16;HMS2660J05;BDBM50152869;AKOS000157701;DS-4927;IDI1_014483;9-Carbazoleacetic acid, >=99.0% (T);SMR000273951;SY101231;FT-0632289;N12770;A829107;SR-01000361269;SR-01000361269-1;Q27261181

Chemical Property of Carbazol-9-yl-acetic acid

Chemical Property:

• Vapor Pressure: 1.06E-06mmHg at 25°C
• Melting Point: 191-194 °C
• Refractive Index: 1.652
• Boiling Point: 387.6 °C at 760 mmHg
• PKA: 3.13±0.10(Predicted)
• Flash Point: 188.2 °C
• PSA: 42.23000
• Density: 1.26 g/cm³
• LogP: 2.87910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 225.078978594
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

98% ^*data from raw suppliers

9-Carbazoleacetic acid ≥99.0% (T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(=O)O

Technology Process of Carbazol-9-yl-acetic acid

There total 12 articles about Carbazol-9-yl-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: 96.0%

N-((methoxycarbonyl)methyl)carbazole (143948-85-0) → 9-carbazolylacetic acid (524-80-1)

Guidance literature:

With potassium hydroxide; In methanol; for 0.833333h;

DOI:10.1021/ja00062a020

Reference yield: 92.0%

9H-carbazole (86-74-8,105184-46-1,97960-57-1) + bromoacetic acid (79-08-3) → 9-carbazolylacetic acid (524-80-1)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 85 ℃;

DOI:10.1039/b203334h

Reference yield: 90.0%

9H-carbazole (86-74-8,105184-46-1,97960-57-1) + ethyl bromoacetate (105-36-2) → 9-carbazolylacetic acid (524-80-1)

Guidance literature:

In N,N-dimethyl-formamide; at 35 ℃; for 12h;

DOI:10.1016/j.tet.2013.11.082

upstream raw materials:

2-(9H-carbazole-9-yl) acetic acid ethyl ester

9H-carbazole

bromoacetic acid

chloroacetic acid

Downstream raw materials:

N-methylcarbazole

C₃₈H₃₅N₅O₅

(triphenylphosphine)2Ag(N-carbazolylacetic acid-H)

9-<(((3-(aminomethyl)benzyl)amino)carbonyl)methyl>carbazole

Refernces

• 1、 Altukhova et al.. "-". . p. 837. Retrieved 1975.
• 2、 Cheng, Hei Wun Alison,Sokias, Renee,Werry, Eryn L.,Ittner, Lars M.,Reekie, Tristan A.,Du, Jonathan,Gao, Quanqing,Hibbs, David E.,Kassiou, Michael. "First Nondiscriminating Translocator Protein Ligands Produced from a Carbazole Scaffold". . p. 8235 - 8248. Retrieved 2019/10/11.