1-(Tert-butoxycarbonyl)indoline-5-carboxylic acid

Base Information

• Chemical Name: 1-(Tert-butoxycarbonyl)indoline-5-carboxylic acid
• CAS No.: 339007-88-4
• Molecular Formula: C14H17NO4
• Molecular Weight: 263.28900
• European Community (EC) Number: 824-308-7
• Nikkaji Number: J857.734J
• Mol file: 339007-88-4.mol

Synonyms:339007-88-4;1-(TERT-BUTOXYCARBONYL)INDOLINE-5-CARBOXYLIC ACID;1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indole-5-carboxylic acid;MFCD07774210;1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-5-carboxylic Acid;SCHEMBL380505;HJBVPXJSMQGQLO-UHFFFAOYSA-N;AKOS009308894;SB64545;NS-04118;CS-0216267;EN300-37432;1-(t-Butoxycarbonyl)indoline-5-carboxylic acid;F50501;Indoline-1,5-dicarboxylic acid 1-tert-butyl ester;1-(TERT-BUTOXYCARBONYL)INDOLINE-5-CARBOXYLICACID;Z381404982;2,3-Dihydro-indole-1,5-dicarboxylic acid 1-tert-butyl ester;1h-indole-1,5-dicarboxylic acid,2,3-dihydro-,1-(1,1-dimethylethyl)ester

Chemical Property of 1-(Tert-butoxycarbonyl)indoline-5-carboxylic acid

Chemical Property:

• Boiling Point: 421.0±44.0 °C(Predicted)
• PKA: 4.46±0.20(Predicted)
• PSA: 66.84000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 2.74740
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 263.11575802
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

99% ^*data from raw suppliers

1-(tert-Butoxycarbonyl)indoline-5-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)C(=O)O

Technology Process of 1-(Tert-butoxycarbonyl)indoline-5-carboxylic acid

There total 4 articles about 1-(Tert-butoxycarbonyl)indoline-5-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: 92.0%

potassium hydrogensulfate (7646-93-7) + 1-tert-butyl 5-methyl indoline-1,5-dicarboxylate (272438-12-7) → 1-(tert-butoxycarbonyl)indoline-5-carboxylic acid (339007-88-4)

Guidance literature:

1-tert-butyl 5-methyl indoline-1,5-dicarboxylate; With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 24h;

potassium hydrogensulfate; In tetrahydrofuran; water;

Reference yield: 69.0%

1-tert-butyl 5-methyl indoline-1,5-dicarboxylate (272438-12-7) → 1-(tert-butoxycarbonyl)indoline-5-carboxylic acid (339007-88-4)

Guidance literature:

1-tert-butyl 5-methyl indoline-1,5-dicarboxylate; With sodium hydroxide; In methanol; water; for 32h; Heating / reflux;

With hydrogenchloride; In water;

Reference yield:

tert-butyl 5-bromoindoline-1-carboxylate (261732-38-1) → 1-(tert-butoxycarbonyl)indoline-5-carboxylic acid (339007-88-4)

Guidance literature:

tert-butyl 5-bromoindoline-1-carboxylate; With n-butyllithium; In tetrahydrofuran; hexane; at -73 ℃; for 0.25h;

With carbon dioxide; In tetrahydrofuran; hexane; at -73 - 20 ℃; for 3h;

With hydrogenchloride; In tetrahydrofuran; hexane; water;

upstream raw materials:

tert-butyl 5-bromoindoline-1-carboxylate

1-tert-butyl 5-methyl indoline-1,5-dicarboxylate

potassium hydrogensulfate

di-tert-butyl dicarbonate