tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

Base Information

• Chemical Name: tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
• CAS No.: 219834-81-8
• Molecular Formula: C12H16N2O2
• Molecular Weight: 220.271
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90452175
• Wikidata: Q82272618
• Mol file: 219834-81-8.mol

Synonyms:219834-81-8;tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;2,3-dihydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester;SCHEMBL994201;DTXSID90452175;UYVCYBCSPBEFJR-UHFFFAOYSA-N;MFCD16037222;AKOS015999739;SB35487;AM20050959;CS-0342423;FT-0709084;A23982;F12613;t-Butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate;2-Methyl-2-propanyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

Chemical Property of tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

Chemical Property:

• PSA: 42.43000
• LogP: 2.44420
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

99%min ^*data from raw suppliers

1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLICACID,2,3-DIHYDRO-,1,1-DIMETHYLETHYLESTER 95 ^*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=CN=C2

Technology Process of tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

There total 8 articles about tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-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: 100.0%

(tert-butoxy)-N-[3-(2-hydroxyethyl)(4-pyridyl)]carboxamide (219834-80-7) → tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (219834-81-8)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at -10 - 20 ℃; for 2h;

DOI:10.1021/jo991011h

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine (23596-28-3) → tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (219834-81-8)

Guidance literature:

In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jo991011h

Reference yield:

tert-butyl 1H-pyrrolo[3,2-c]pyridine-1-carboxylate (148760-75-2) → tert-butyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (219834-81-8)

Guidance literature:

With palladium 10% on activated carbon; 20% palladium hydroxide-activated charcoal; hydrogen; In methanol; at 50 ℃; for 10h; under 2585.81 Torr;

upstream raw materials:

(tert-butoxy)-N-[3-(2-hydroxyethyl)(4-pyridyl)]carboxamide

di-tert-butyl dicarbonate

2,3-dihydro-1H-pyrrolo[3,2-c]pyridine

4-aminopyridine

Downstream raw materials:

2,3-dihydro-1H-pyrrolo[3,2-c]pyridine hydrochloride

5-benzyl-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester

1-(1-methyl(2-pyrrolino[2,3-d]pyridin-7-yl))-2-(phenylmethoxy)naphthalene

2,3-dihydro-1H-pyrrolo[3,2-c]pyridine

Refernces

• 1、 Spivey, Alan C.,Fekner, Tomasz,Spey, Sharon E.,Adams, Harry. "Configurationally Stable Biaryl Analogues of 4-(Dimethylamino)pyridine: A Novel Class of Chiral Nucleophilic Catalysts". . p. 9430 - 9443. Retrieved 2007/10/03.