Benzyl (5-(hydroxyamino)pentyl)carbamate

Base Information

• Chemical Name: Benzyl (5-(hydroxyamino)pentyl)carbamate
• CAS No.: 91905-05-4
• Molecular Formula: C13H20N2O3
• Molecular Weight: 252.313
• Hs Code.: 2924299090
• European Community (EC) Number: 618-800-9
• DSSTox Substance ID: DTXSID30449327
• Mol file: 91905-05-4.mol

Synonyms:Benzyl (5-(hydroxyamino)pentyl)carbamate;91905-05-4;Benzyl N-[5-(hydroxyamino)pentyl]carbamate;Carbamic acid, [5-(hydroxyamino)pentyl]-, phenylmethyl ester;Benzyl(5-(hydroxyamino)pentyl)carbamate;DTXSID30449327;AKOS015998865;CS-0355689;A860200;EN300-12616324

Chemical Property of Benzyl (5-(hydroxyamino)pentyl)carbamate

Chemical Property:

• PSA: 74.08000
• LogP: 2.65720
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 252.14739250
• Heavy Atom Count: 18
• Complexity: 218

Purity/Quality:

98%Min ^*data from raw suppliers

Benzyl(5-(hydroxyamino)pentyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCCCCNO

Technology Process of Benzyl (5-(hydroxyamino)pentyl)carbamate

There total 6 articles about Benzyl (5-(hydroxyamino)pentyl)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: 86.0%

(5-Hydroxyimino-pentyl)-carbamic acid benzyl ester (135124-61-7) → 1-(Carbobenzoxyamino)-5-(hydroxyamino)pentane (91905-05-4)

Guidance literature:

With hydrogenchloride; borane pyridine; In methanol; for 2h;

DOI:10.1021/jo00100a061

Reference yield:

2,3,4,5-tetrahydropyridine (505-18-0) → 1-(Carbobenzoxyamino)-5-(hydroxyamino)pentane (91905-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) aq. K₂CO₃, 2.) NH₂OH*HCl, pyridine / 1.) 15-18 deg C, 2.) 70 deg C, 60 min

2: 86 percent / pyridine*BH₃, 10percent aq. HCl / methanol / 2 h

With pyridine; hydrogenchloride; borane pyridine; hydroxylamine hydrochloride; potassium carbonate; In methanol;

DOI:10.1021/jo00100a061

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) → 1-(Carbobenzoxyamino)-5-(hydroxyamino)pentane (91905-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) aq. K₂CO₃, 2.) NH₂OH*HCl, pyridine / 1.) 15-18 deg C, 2.) 70 deg C, 60 min

2: 86 percent / pyridine*BH₃, 10percent aq. HCl / methanol / 2 h

With pyridine; hydrogenchloride; borane pyridine; hydroxylamine hydrochloride; potassium carbonate; In methanol;

DOI:10.1021/jo00100a061

upstream raw materials:

1-Carbobenzoxyamino-5-nitro-pentan

(5-Hydroxyimino-pentyl)-carbamic acid benzyl ester

2,3,4,5-tetrahydropyridine

benzyl chloroformate

Downstream raw materials:

[5-(3,6-dioxo-[1,2]oxazinan-2-yl)-pentyl]-carbamic acid benzyl ester

benzoylamide deferoxamine

N⁽¹⁾-Benzyloxycarbonyl-6,17-dihydroxy-7,10,18-trioxo-6,11,17-triazanonadecylamin

1-Carbobenzoxyamino-6,17-dihydroxy-7,10,18,21-tetraoxy-27-(N-acetyl-hydroxyamino)-6,11,17,22-tetraaza-hepteikosan

Refernces