O-Butylhydroxylamine

Base Information

• Chemical Name: O-Butylhydroxylamine
• CAS No.: 5622-77-5
• Molecular Formula: C4H11 N O
• Molecular Weight: 89.1374
• DSSTox Substance ID: DTXSID50204773
• Nikkaji Number: J2.343.198J
• Wikidata: Q83078216
• ChEMBL ID: CHEMBL6960
• Mol file: 5622-77-5.mol

Synonyms:O-Butylhydroxylamine;5622-77-5;Hydroxylamine, O-butyl-;O-Butyl-Hydroxylamine;O-n-butylhydroxylamine;MFCD07473528;n-butoxyamine;n-butyoxyamine;CHEMBL6960;DTXSID50204773;STL483789;AKOS005068275;AS-57271;SY013356;FT-0714796;H11431;EN300-1246767;A918558

Chemical Property of O-Butylhydroxylamine

Chemical Property:

• Vapor Pressure: 11.4mmHg at 25°C
• Boiling Point: 127°Cat760mmHg
• PKA: 4.97±0.70(Predicted)
• Flash Point: 31.5°C
• PSA: 35.25000
• Density: 0.852g/cm³
• LogP: 1.37710
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 89.084063974
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

O-Butylhydroxylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCON

Technology Process of O-Butylhydroxylamine

There total 2 articles about O-Butylhydroxylamine 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%

2-butoxyisoindoline-1,3-dione (51951-28-1) → 2,3-dihydrophthalazine-1,4-dione (1445-69-8) + O-n-butylhydroxylamine (5622-77-5)

Guidance literature:

With hydrazine hydrate; In diethyl ether; for 0.25h; Ambient temperature;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + N-butoxy-benzimidic acid butyl ester (26889-18-9) → O-n-butylhydroxylamine (5622-77-5) + benzoic acid ethyl ester (93-89-0,99341-95-4)

Guidance literature:

Reference yield: 92.4%

O-n-butylhydroxylamine (5622-77-5) + (Z)-3-acetyl-5-(4-chlorobenzylidene)-4-hydroxypyrrolidine-2-one (1262232-44-9) → (Z)-3-((E)-1-(butoxyimino)ethyl)-5-(4-chlorobenzylidene)-4-hydroxy-1,5-dihydro-2H-pyrrole-2-one (1262232-69-8)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 3h; Reflux;

DOI:10.1002/jhet.452

upstream raw materials:

2-butoxyisoindoline-1,3-dione

hydrogenchloride

N-butoxy-benzimidic acid butyl ester

Downstream raw materials:

N-butoxy-5-chloro-2-hydroxy-benzamide

2-(1-Butoxyamino-propylidene)-5,5-dimethyl-cyclohexane-1,3-dione

3-Formylrifamycin SV O-n-Butyloxim

N-butoxy-4-chloro-2-hydroxy-benzamide

Refernces