N-BENZYLHYDROXYLAMINE HYDROCHLORIDE

Base Information

• Chemical Name: N-BENZYLHYDROXYLAMINE HYDROCHLORIDE
• CAS No.: 622-30-0
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID80383181
• Nikkaji Number: J95.591D
• Wikidata: Q72441286
• ChEMBL ID: CHEMBL1441489
• Mol file: 622-30-0.mol

Synonyms:Hydroxylamine,N-benzyl- (6CI,7CI,8CI);Benzylhydroxylamine;N-Benzylhydroxylamine;N-Hydroxybenzylamine;O-Benzylhydroxyamine;

Chemical Property of N-BENZYLHYDROXYLAMINE HYDROCHLORIDE

Chemical Property:

• Vapor Pressure: 0.00923mmHg at 25°C
• Melting Point: ~105 °C
• Refractive Index: 1.561
• Boiling Point: 253.9 °C at 760 mmHg
• PKA: 13.19±0.30(Predicted)
• Flash Point: 135.2 °C
• PSA: 32.26000
• Density: 1.098g/cm³
• LogP: 1.55630
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

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

N-Benzylhydroxylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNO

Technology Process of N-BENZYLHYDROXYLAMINE HYDROCHLORIDE

There total 65 articles about N-BENZYLHYDROXYLAMINE HYDROCHLORIDE 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%

N-benzylhydroxylamine hydrochloride (29601-98-7) → N-benzyl hydroxylalmine (622-30-0)

Guidance literature:

With sodium hydrogencarbonate; In water;

Reference yield: 100.0%

Benzaldoxime (932-90-1) → N-benzyl hydroxylalmine (622-30-0)

Guidance literature:

With K₁₂(Ga₄(1,5-bis(2,3-dihydroxybenzamido)naphthalene))6; potassium phosphate; borane pyridine; In water-d2; at 20 ℃; for 22h; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.0c12479

Reference yield: 94.0%

syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2) → N-benzyl hydroxylalmine (622-30-0)

Guidance literature:

With sodium cyanoborohydride; acetyl chloride; In methanol; at 0 ℃;

DOI:10.1021/ja00241a025

upstream raw materials:

N,O-dibenzylhydroxylamine

N-benzyl-O-benzoylhydroxylamine

sodium ethanolate

N-Benzylidenebenzylamine N-oxide

Downstream raw materials:

(Z)-N-(furan-2-ylmethylene)-1-phenylmethanamine oxide

N-benzyl-C-o-chlorophenyl nitrone

N,N-dibenzylhydroxylamine

N-benzylmethylene nitrone

Refernces

• 1、 Meadows, Margaret K.,Roesner, Emily K.,Lynch, Vincent M.,James, Tony D.,Anslyn, Eric V.. "Boronic Acid Mediated Coupling of Catechols and N-Hydroxylamines: A Bioorthogonal Reaction to Label Peptides". . p. 3179 - 3182. Retrieved 2017.
• 2、 He, Chun-Ting,Han, Xiao-Li,Zhang, Yan-Xue,Du, Zhen-Ting,Si, Chang-Mei,Wei, Bang-Guo. "Sc(OTf)3-catalyzed [3 + 2]-cycloaddition of nitrones with ynones". supporting information. p. 457 - 466. Retrieved 2021/01/29.
• 3、 -. "Indazole compounds and application thereof to preparation of IDO inhibitors". Paragraph 0210; 0212; 0215; 0216. . Retrieved 2018/11/04.