Methyl indoline-4-carboxylate

Base Information

• Chemical Name: Methyl indoline-4-carboxylate
• CAS No.: 155135-61-8
• Molecular Formula: C10H11 N O2
• Molecular Weight: 177.203
• Hs Code.: 2933990090
• European Community (EC) Number: 810-361-3
• DSSTox Substance ID: DTXSID70585692
• Wikidata: Q72492017
• Mol file: 155135-61-8.mol

Synonyms:155135-61-8;Methyl indoline-4-carboxylate;4-METHOXYCARBONYL-2,3-DIHYDRO-1H-INDOLE;methyl 2,3-dihydro-1H-indole-4-carboxylate;1H-Indole-4-carboxylic acid, 2,3-dihydro-, methyl ester;MFCD07371619;Methylindoline-4-carboxylate;SCHEMBL3872064;DTXSID70585692;AOWXPFSYLFDFHC-UHFFFAOYSA-N;AKOS006240480;SB33888;BS-21544;SY273610;CS-0141055;EN300-62258;A883670

Chemical Property of Methyl indoline-4-carboxylate

Chemical Property:

• Boiling Point: 328℃
• Flash Point: 152℃
• PSA: 38.33000
• Density: 1.162
• LogP: 1.57920
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxycarbonyl-2,3-dihydro-1h-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C2CCNC2=CC=C1
• Uses: 4-Methoxycarbonyl-2,3-dihydro-1h-indole is a useful reagent for the preparation of indolinylhydroxyureas and hydroxamic acids as allergy and inflammation inhibitor.

Technology Process of Methyl indoline-4-carboxylate

There total 1 articles about Methyl indoline-4-carboxylate 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: 89.0%

methyl 1H-indole-4-carboxylate (39830-66-5) → methyl indoline-4-carboxylate (155135-61-8)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/acs.jmedchem.0c01498

Reference yield: 82.0%

methyl indoline-4-carboxylate (155135-61-8) + (2-chloropyrimidin-4-yl)(3-fluoro-5-(trifluoromethyl)phenyl)methanone → methyl 1-(4-(3-fluoro-5-(trifluoromethyl)benzoyl)pyrimidin-2-yl)indoline-4-carboxylate

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c01498

Reference yield: 81.0%

methyl indoline-4-carboxylate (155135-61-8) + 2-(bromomethyl)-4-chloro-1-((4-chloro-2-fluorobenzyl)oxy)benzene (1427422-74-9) → methyl 1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)indoline-4-carboxylate (1427423-22-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

methyl 1H-indole-4-carboxylate

Downstream raw materials:

methyl 1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)indoline-4-carboxylate

1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)indoline-4-carboxylic acid

methyl 1-(5-chloro-2-((2,4-difluorobenzyl)oxy)benzyl)indoline-4-carboxylate

indolin-4-ylmethanol