Isoindolin-5-ylmethanol

Base Information

• Chemical Name: Isoindolin-5-ylmethanol
• CAS No.: 127168-98-3
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70600399
• Nikkaji Number: J2.364.293J
• Wikidata: Q82496453
• Mol file: 127168-98-3.mol

Synonyms:isoindolin-5-ylmethanol;127168-98-3;2,3-DIHYDRO-1H-ISOINDOL-5-YLMETHANOL;(2,3-Dihydro-1H-isoindol-5-yl)methanol;1H-Isoindole-5-methanol, 2,3-dihydro-;5-hydroxymethylisoindoline;SCHEMBL1206291;DTXSID70600399;RNLBNPQIMFCASQ-UHFFFAOYSA-N;AKOS006324998;MB09741;2,3-Dihydro-1H-isoindol-5-yl methanol;DA-37302;(2,3-dihydro-1H-isoindol-5-yl)-methanol;(2,3-dihydro-1 H-isoindol-5-yl)-methanol;CS-0270683;F83437;EN300-2967095;A901338;J-521545

Chemical Property of Isoindolin-5-ylmethanol

Chemical Property:

• PSA: 32.26000
• LogP: 1.11090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Isoindolin-5-Ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(CN1)C=C(C=C2)CO

Technology Process of Isoindolin-5-ylmethanol

There total 8 articles about Isoindolin-5-ylmethanol 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: 100.0%

(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)1-methanol (127169-16-8) → 5-hydroxymethyl-2,3-dihydro-1H-isoindole (127168-98-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 50 ℃; for 30h; under 3102.97 Torr;

Reference yield:

tert-butyl 5-(hydroxymethyl)-1,3-dihydro-2H-isoindole-2-carboxylate (253801-14-8) → 5-hydroxymethyl-2,3-dihydro-1H-isoindole (127168-98-3)

Guidance literature:

tert-butyl 5-(hydroxymethyl)-1,3-dihydro-2H-isoindole-2-carboxylate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.0333333h;

With triethylamine; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1016/j.bmc.2009.10.039

Reference yield:

2-ethoxycarbonyl-5-hydroxymethylisoindoline → 5-hydroxymethyl-2,3-dihydro-1H-isoindole (127168-98-3)

Guidance literature:

With potassium hydroxide; In water;

upstream raw materials:

(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)1-methanol

2,3-dihydro-5-formyl-2-tert-butoxycarbonyl(1H)isoindole

methyl 2,3-dihydro-2-(phenylmethyl)-1H-isoindole-5-carboxylate

methyl 3,4-dimethylbenzoate

Downstream raw materials:

(2-methyl-2,3-dihydro-1H-isoindol-5-yl)-methanol

5-hydroxymethyl-1,3-dihydro-isoindole-2-carboxylic acid benzyl ester

5-{[methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-carbamoyl]-methyl}-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester

5-formyl-1,2-dihydro-isoindole-2-carboxylic acid tertiary butyl ester

Refernces

• 1、 Horiuchi, Takao,Nagata, Motoko,Kitagawa, Mayumi,Akahane, Kouichi,Uoto, Kouichi. "Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation and structure-activity relationships. Part 2". experimental part. p. 7850 - 7860. Retrieved 2010/04/02.
• 2、 -. "HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90". Page/Page column 47; 109-110. . Retrieved 2008/06/13.