tert-Butyl (2-(hydroxymethyl)pyridin-3-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-(hydroxymethyl)pyridin-3-yl)carbamate
• CAS No.: 824429-51-8
• Molecular Formula: C₁₁H₁₆N₂O₃
• Molecular Weight: 224.26
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40590339
• Wikidata: Q82484056
• Mol file: 824429-51-8.mol

Synonyms:824429-51-8;tert-Butyl (2-(hydroxymethyl)pyridin-3-yl)carbamate;(2-Hydroxymethyl-pyridin-3-yl)-carbamic acid tert-butyl ester;tert-butyl N-[2-(hydroxymethyl)pyridin-3-yl]carbamate;3-(BOC-AMINO)-2-(HYDROXYMETHYL)PYRIDINE;MFCD04035602;Tert-butyl 2-(hydroxymethyl)pyridin-3-ylcarbamate;tert-butyl [2-(hydroxymethyl)pyridin-3-yl]carbamate;Boc-3-aminopyridine-2-methanol;SCHEMBL2082187;DTXSID40590339;QAVAWYIIXQYNEK-UHFFFAOYSA-N;(2-Hydroxymethyl-pyridin-3-yl)-carbamic acidtert-butyl ester;AKOS015838211;AB16960;CS-W003133;AS-30904;SY008255;DB-030159;AM20061735;A840338;J-524350;tert-Butyl(2-(hydroxymethyl)pyridin-3-yl)carbamate;(2-HYDROXYMETHYL-PYRIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER;(2-Hydroxymethyl-pyridin-3-yl)-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of tert-Butyl (2-(hydroxymethyl)pyridin-3-yl)carbamate

Chemical Property:

• Vapor Pressure: 0.000167mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 316.9°C at 760 mmHg
• PKA: 12.71±0.70(Predicted)
• Flash Point: 145.5°C
• PSA: 71.45000
• Density: 1.209g/cm³
• LogP: 1.99390
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

(2-Hydroxymethyl-pyridin-3-yl)-carbamic acid tert-butyl ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(N=CC=C1)CO

Technology Process of tert-Butyl (2-(hydroxymethyl)pyridin-3-yl)carbamate

There total 7 articles about tert-Butyl (2-(hydroxymethyl)pyridin-3-yl)carbamate 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: 97.0%

(2?formyl?pyridin?3?yl)?carbamic acid tert?butyl ester (116026-99-4) → N-[2-(hydroxymethyl)pyridin-3-yl]carbamic acid tert-butyl ester (824429-51-8)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1016/j.bmc.2011.01.035

Reference yield:

methyl 3-[bis(tert-butoxycarbonyl)amino]pyridine-2-carboxylate → N-[2-(hydroxymethyl)pyridin-3-yl]carbamic acid tert-butyl ester (824429-51-8)

Guidance literature:

methyl 3-[bis(tert-butoxycarbonyl)amino]pyridine-2-carboxylate; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 23 ℃; for 2.5h; Inert atmosphere;

With Rochelle's salt; at -10 - 20 ℃; Inert atmosphere;

DOI:10.1039/c6cc04735a

Reference yield:

methyl 3-{[(tert-butoxy)carbonyl]amino}pyridine-2-carboxylate (912369-42-7) + 2-tert-butoxycarbonylamino-nicotinic acid methyl ester (873460-09-4) → 2-(tert-butoxycarbonyl)amino-3-hydrohymethyl pyridine (877593-11-8) + N-[2-(hydroxymethyl)pyridin-3-yl]carbamic acid tert-butyl ester (824429-51-8)

Guidance literature:

methyl 3-{[(tert-butoxy)carbonyl]amino}pyridine-2-carboxylate; 2-tert-butoxycarbonylamino-nicotinic acid methyl ester; With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 4h;

With water; sodium hydrogencarbonate; In tetrahydrofuran; methanol; ethyl acetate;

upstream raw materials:

(2?formyl?pyridin?3?yl)?carbamic acid tert?butyl ester

methyl 3-{[(tert-butoxy)carbonyl]amino}pyridine-2-carboxylate

2-tert-butoxycarbonylamino-nicotinic acid methyl ester

3-amino-pyridine-2-carboxylic acid

Downstream raw materials:

3-amino-2-hydroxy-methylpyridine

tert-butyl N-[2-(aminomethyl)pyridin-3-yl]carbamate

2-phenyl-1H-pyrrolo[3,2-b]pyridine

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