O-(4-Chlorobenzyl)hydroxylamine hydrochloride

Base Information

• Chemical Name: O-(4-Chlorobenzyl)hydroxylamine hydrochloride
• CAS No.: 38936-60-6
• Molecular Formula: C7H9Cl2NO
• Molecular Weight: 194.061
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID10959772
• ChEMBL ID: CHEMBL3764023
• Mol file: 38936-60-6.mol

Synonyms:38936-60-6;O-(4-Chlorobenzyl)hydroxylamine hydrochloride;1-[(Ammoniooxy)methyl]-4-chlorobenzene chloride;1-[(Aminooxy)methyl]-4-chlorobenzene hydrochloride;O-[(4-chlorophenyl)methyl]hydroxylamine hydrochloride;O-(p-Chlorobenzyl)hydroxylamine hydrochloride;4-chlorobenzyloxyamine hydrochloride;O-[(4-chlorophenyl)methyl]hydroxylamine;hydrochloride;Hydroxylamine, O-[(4-chlorophenyl)methyl]-, hydrochloride;CHEMBL3764023;Hydroxylamine, O-(p-chlorobenzyl)-, hydrochloride;O-(4-Chlorobenzyl)hydroxylamine HCl;MFCD01114589;4-Chlorobenzyloxyamine HCl;SCHEMBL1715739;DTXSID10959772;CS-B1210;BDBM50146529;AKOS005070598;AM90374;LS-77385;A6551;FT-0680434;5E-044;EN300-7379422;O-(4-Chloro-benzyl)-hydroxylamine hydrochloride;J-504078;Hydroxylamine, O-[(4-chlorophenyl)methyl]-, hydrochloride (1:1);O-[(4-Chlorophenyl)methyl]hydroxylamine--hydrogen chloride (1/1)

Chemical Property of O-(4-Chlorobenzyl)hydroxylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00555mmHg at 25°C
• Melting Point: 230°C
• Boiling Point: 274 °C at 760 mmHg
• Flash Point: 119.5 °C
• PSA: 35.25000
• LogP: 3.23260
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.0061193
• Heavy Atom Count: 11
• Complexity: 91.6

Purity/Quality:

99% ^*data from raw suppliers

1-[(Ammoniooxy)methyl]-4-chlorobenzeneChloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CON)Cl.Cl

Technology Process of O-(4-Chlorobenzyl)hydroxylamine hydrochloride

There total 10 articles about O-(4-Chlorobenzyl)hydroxylamine 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: 98.96%

O-(p-chlorobenzyl)acetoxime → O-(4-chlorobenzyl)hydroxylamine hydrochloride (38936-60-6)

Guidance literature:

With hydrogenchloride; In methanol; water; at 35 ℃; for 3.66667h;

Reference yield: 84.0%

1-(4-chlorobenzyloxy)-3,4-diphenyl-1H-pyrrole-2,5-dione → 2,3-diphenylmaleic anhydride (4808-48-4) + O-(4-chlorobenzyl)hydroxylamine hydrochloride (38936-60-6)

Guidance literature:

1-(4-chlorobenzyloxy)-3,4-diphenyl-1H-pyrrole-2,5-dione; With potassium hydroxide; In ethanol; water; at 102 ℃; for 0.0833333h; Microwave irradiation; Green chemistry;

With hydrogenchloride; In ethanol; water; pH=4; Temperature; Green chemistry;

DOI:10.1039/c6gc01318j

Reference yield: 70.0%

C17H24ClNO5 → O-(4-chlorobenzyl)hydroxylamine hydrochloride (38936-60-6)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 25 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bmcl.2021.128137

upstream raw materials:

(4-chlorobenzyl)oxyamine

N-(4-Chlor-benzyloxy)-carbaminsaeure-ethylester

4-chlorobenzaldehyde

para-Chlorobenzyl alcohol

Downstream raw materials:

2-[(E)-4-Chloro-benzyloxyimino]-propionic acid ethyl ester

C₂₁H₃₁ClN₂O₂

C₂₁H₃₁ClN₂O₂

C₁₃H₁₁BrClNO₂

Refernces

• 1、 Kaur, Navpreet,Singh, Priyanka,Banerjee, Prabal. "Vinylogous Aza-Michael Addition of Urea Derivatives with p-Quinone Methides Followed by Oxidative Dearomative Cyclization: Approach to Spiroimidazolidinone Derivatives". supporting information. p. 2813 - 2824. Retrieved 2021/04/21.
• 2、 -. "Preparation method of benzyloxyamine hydrochloride". Paragraph 0047-0049; 0052. . Retrieved 2021/04/14.