tert-Butyl ((1-(hydroxymethyl)cyclopropyl)methyl)carbamate

Base Information

• Chemical Name: tert-Butyl ((1-(hydroxymethyl)cyclopropyl)methyl)carbamate
• CAS No.: 153248-46-5
• Molecular Formula: C10H19NO3
• Molecular Weight: 201.266
• Hs Code.: 2924299090
• European Community (EC) Number: 831-329-5
• ChEMBL ID: CHEMBL4931240
• DSSTox Substance ID: DTXSID80470803
• Wikidata: Q82298980
• Mol file: 153248-46-5.mol

Synonyms:153248-46-5;tert-Butyl ((1-(hydroxymethyl)cyclopropyl)methyl)carbamate;[1-[(Boc-amino)methyl]cyclopropyl]methanol;Tert-butyl N-[[1-(hydroxymethyl)cyclopropyl]methyl]carbamate;MFCD09031543;tert-butyl {[1-(hydroxymethyl)cyclopropyl]methyl}carbamate;(1-Hydroxymethyl-cyclopropylmethyl)-carbamic acid tert-butyl ester;1-HYDROXYMETHYL-1-(TERT-BUTOXYCARBONYLAMINOMETHYL)CYCLOPROPANE;TERT-BUTYL N-{[1-(HYDROXYMETHYL)CYCLOPROPYL]METHYL}CARBAMATE;SCHEMBL510027;CHEMBL4931240;DTXSID80470803;NQILLQJICWRVRV-UHFFFAOYSA-N;AKOS015965232;AS-32299;SY028880;CS-0044518;FT-0742751;1-[(Boc-amino)methyl]cyclopropane-1-methanol;EN300-190890;A883837;Z1269222263;(1-Hydroxymethyl-cyclopropylmethyl)carbamic acid tert-butyl ester;(1-Hydroxymethylcyclopropylmethyl)-carbamic acid tert-butyl ester;1,1-dimethylethyl {[1-(hydroxymethyl)cyclopropyl]methyl}carbamate;2-Methyl-2-propanyl {[1-(hydroxymethyl)cyclopropyl]methyl}carbamate

Chemical Property of tert-Butyl ((1-(hydroxymethyl)cyclopropyl)methyl)carbamate

Chemical Property:

• PSA: 62.05000
• LogP: 1.48800
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 201.13649347
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl((1-(hydroxymethyl)cyclopropyl)methyl)carbamate 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)NCC1(CC1)CO
• Uses: [1-[(Boc-amino)methyl]cyclopropyl]methanol is used as a reactant in the preparation of imidazolylalkylamine compounds for the inhibition of human glutaminyl cyclase.

Technology Process of tert-Butyl ((1-(hydroxymethyl)cyclopropyl)methyl)carbamate

There total 7 articles about tert-Butyl ((1-(hydroxymethyl)cyclopropyl)methyl)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: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + (1-(aminomethyl)cyclopropyl)methanol (45434-02-4) → 1-hydroxymethyl-1-(tert-butoxycarbonylaminomethyl)cyclopropane (153248-46-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 88.0%

methyl (<<(tert-butoxy)carbonyl>amino>methyl)cyclopropane-1-carboxylate (220145-17-5) → 1-hydroxymethyl-1-(tert-butoxycarbonylaminomethyl)cyclopropane (153248-46-5)

Guidance literature:

In tetrahydrofuran; at 0 - 23 ℃; for 4h;

Reference yield:

1-(<<(tert-butoxy)carbonyl>amino>methyl)cyclopropane-1-carboxylic acid (204376-48-7) → 1-hydroxymethyl-1-(tert-butoxycarbonylaminomethyl)cyclopropane (153248-46-5)

Guidance literature:

1-(<<(tert-butoxy)carbonyl>amino>methyl)cyclopropane-1-carboxylic acid; With borane-THF; In tetrahydrofuran; at -70 - 20 ℃; for 4h; Inert atmosphere;

With water; In tetrahydrofuran; at 20 ℃;

upstream raw materials:

di-tert-butyl dicarbonate

(1-(aminomethyl)cyclopropyl)methanol

1-(aminocarbonyl)-1-cyclopropanecarboxylic acid methyl ester

1-(<<(tert-butoxy)carbonyl>amino>methyl)cyclopropane-1-carboxylic acid

Downstream raw materials:

tert-butyl ((1-formylcyclopropyl)methyl)carbamate

(1-((1H-imidazol-1-yl)methyl)cyclopropyl)methanamine