O-Isobutylhydroxylamine Hydrochloride

Base Information

• Chemical Name: O-Isobutylhydroxylamine Hydrochloride
• CAS No.: 6084-58-8
• Molecular Formula: C4H12ClNO
• Molecular Weight: 125.598
• Hs Code.: 2922199090
• European Community (EC) Number: 678-541-2
• DSSTox Substance ID: DTXSID00507201
• Mol file: 6084-58-8.mol

Synonyms:O-Isobutylhydroxylamine Hydrochloride;6084-58-8;O-(2-methylpropyl)hydroxylamine hydrochloride;O-(2-methylpropyl)hydroxylamine;hydrochloride;O-Isobutylhydroxylamine, HCl;MFCD00060208;Isobutyloxyamine Hydrochloride;O-IsobutylhydroxylamineHydrochloride;Hydroxylamine, O-(2-methylpropyl)-, hydrochloride;Isobutoxyamine hydrochloride;O-Isobutylhydroxylamine,HCl;iso-butoxylamine hydrochloride;SCHEMBL1522789;DTXSID00507201;WOXGREIMSJFDPG-UHFFFAOYSA-N;O-isobutylhydroxylamin hydrochloride;AMY31434;O-iso-Butylhydroxylamine hydrochloride;o-isobutyl-hydroxylamine hydrochloride;AKOS015846918;GS-5470;SB75397;SY013358;1-(aminooxy)-2-methylpropane hydrochloride;CS-0136014;FT-0754904;I0387;EN300-115053;H10571;ISOBUTYLHYDROXYLAMINEHYDROCHLORIDE;98%;A868875;O-(2-Methylpropyl)hydroxylamine--hydrogen chloride (1/1)

Chemical Property of O-Isobutylhydroxylamine Hydrochloride

Chemical Property:

• Vapor Pressure: 1.46mmHg at 25°C
• Melting Point: 129°C
• Boiling Point: 167.7°C at 760 mmHg
• Flash Point: 55.2°C
• PSA: 35.25000
• LogP: 2.03500
• Storage Temp.: Refrigerator
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 125.0607417
• Heavy Atom Count: 7
• Complexity: 28.7

Purity/Quality:

99% ^*data from raw suppliers

O-Isobutylhydroxylamine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CON.Cl
• Uses: O-Isobutylhydroxylamine Hydrochloride is a reagent in the preparation of bis-hydroxy-benzophenone oxime ether derivatives as estrogen receptor (ER) agonist with complementary anti-cancer activities.

Technology Process of O-Isobutylhydroxylamine Hydrochloride

There total 4 articles about O-Isobutylhydroxylamine 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: 99.0%

O-1-(2-methyl)propyl-N-hydroxyphthalimide (52026-51-4) → O-isobutylhydroxylamine hydrochloride (6084-58-8)

Guidance literature:

O-1-(2-methyl)propyl-N-hydroxyphthalimide; With methylhydrazine; In dichloromethane; at 0 - 20 ℃; for 2h;

With hydrogenchloride; In 1,4-dioxane; at 0 ℃;

Reference yield: 61.8%

C6H13NO2 → O-isobutylhydroxylamine hydrochloride (6084-58-8)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 65 ℃;

Reference yield: 53.0%

C13H15NO2 → O-isobutylhydroxylamine hydrochloride (6084-58-8)

Guidance literature:

C₁₃H₁₅NO₂; With hydrazine hydrate; In tetrahydrofuran; at 20 ℃; for 12h;

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 0.0833333h;

DOI:10.1002/chem.201800683

upstream raw materials:

O-1-(2-methyl)propyl-N-hydroxyphthalimide

O-isobutylhydroxylamine

Downstream raw materials:

benzyl N-(isobutyloxy)carbamate

isobutyl benzohydroxamate

(E)-2-methylcyclohexanone O-isobutyl oxime

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-N-(2-methylpropoxy)picolinamide

Refernces

• 1、 -. "Sterol derivatives and its preparation method and application". Paragraph 0111-0113. . Retrieved 2019/05/19.
• 2、 Kim, Taelim,Kim, Hye-In,An, Ji-Young,Lee, Jun,Lee, Na-Rae,Heo, Jinyuk,Kim, Ji-Eun,Yu, Jihyun,Lee, Yong Sup,Inn, Kyung-Soo,Kim, Nam-Jung. "Identification of novel estrogen receptor (ER) agonists that have additional and complementary anti-cancer activities via ER-independent mechanism". supporting information. p. 1844 - 1848. Retrieved 2016/07/27.