O-TERT-BUTYLHYDROXYLAMINE HYDROCHLORIDE

Base Information

• Chemical Name: O-TERT-BUTYLHYDROXYLAMINE HYDROCHLORIDE
• CAS No.: 39684-28-1
• Molecular Formula: C4H11 N O . Cl H
• Molecular Weight: 125.598
• Hs Code.: 29280090
• European Community (EC) Number: 254-590-1
• DSSTox Substance ID: DTXSID40192776
• Wikidata: Q26840893
• Mol file: 39684-28-1.mol

Synonyms:Hydroxylamine,O-(1,1-dimethylethyl)-, hydrochloride (9CI);tert-Butoxyamine hydrochloride(6CI);O-t-Butylhydroxylamine hydrochloride;O-tert-Butylhydroxylaminehydrochloride;

Chemical Property of O-TERT-BUTYLHYDROXYLAMINE HYDROCHLORIDE

Chemical Property:

• Appearance/Colour: white-off solid or colorless liquid
• Vapor Pressure: 24.2mmHg at 25°C
• Melting Point: 158-159oC(lit.)
• Boiling Point: 110°Cat760mmHg
• Flash Point: 17.5°C
• PSA: 35.25000
• Density: g/cm³
• LogP: 2.17750
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: H2O: soluble0.5g/10 mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.0607417
• Heavy Atom Count: 7
• Complexity: 37.3

Purity/Quality:

99% ^*data from raw suppliers

O-tert-Butylhydroxylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)ON.Cl
• Uses: Reactant involved in synthesis of biologically active molecules including:? ;CGS 25966 derivatives for use as MMP inhibitors1? ;Imidazolidinedione derivatives for use as antimalarial treatments2? ;Pyrimidine ribonucleotide analogs as P2Y6 receptor agonists3? ;Rab proteins for isoprenylation and geranylgeranylation inhibition4Reactant involved in:? ;Synthesis of N-(arylethyl)-O-tert-butylhydroxamates for use as Weinreb amide equivalents5? ;Double allylic alkylation of indole-2-hydroxamates6? ;SN2 substitution reactions at amide nitrogens7? ;Photoc O-tert-Butylhydroxylamine Hydrochloride is an reactant used in various synthesis of biologically active molecules such as camptothecin derivatives that exerts anti-tumor activity, oxime derivatives as GPR119 agonists and their preparation and highly Potent Matrix Metalloproteinase Inhibitors. Reactant involved in synthesis of biologically active molecules including:CGS 25966 derivatives for use as MMP inhibitorsImidazolidinedione derivatives for use as antimalarial treatmentsPyrimidine ribonucleotide analogs as P2Y6 receptor agonistsRab proteins for isoprenylation and geranylgeranylation inhibitionReactant involved in:Synthesis of N-(arylethyl)-O-tert-butylhydroxamates for use as Weinreb amide equivalentsDouble allylic alkylation of indole-2-hydroxamatesSN2 substitution reactions at amide nitrogensPhotocycloaddition to C=N bonds for synthesis of 1,3-diazepines

Technology Process of O-TERT-BUTYLHYDROXYLAMINE HYDROCHLORIDE

There total 3 articles about O-TERT-BUTYLHYDROXYLAMINE 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: 96.0%

2-(tert-butoxy)isoindoline-1,3-dione (51951-30-5) → O-(tert-butyl)hydroxylamine hydrochloride (39684-28-1)

Guidance literature:

2-(tert-butoxy)isoindoline-1,3-dione; With methylhydrazine; In dichloromethane; at 0 - 20 ℃;

With hydrogenchloride; In dichloromethane; at 0 ℃; for 0.75h;

DOI:10.1016/j.tetlet.2005.07.149

Reference yield: 88.5%

ethyl O-tert-butylacetohydroxamate → O-(tert-butyl)hydroxylamine hydrochloride (39684-28-1)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 2.5h;

Reference yield: 63.8%

N-Acetyl-O-tert.-butyl-hydroxylamin → O-(tert-butyl)hydroxylamine hydrochloride (39684-28-1)

Guidance literature:

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

upstream raw materials:

2-(tert-butoxy)isoindoline-1,3-dione

Downstream raw materials:

2-(2-bromoallyloxy)benzaldehyde O-tert-butyloxime

2-(2-bromobenzyloxy)benzaldehyde O-tert-butyloxime

(R)-2-(N-benzyl-4-(dimethylamino)phenylsulfonamido)-N-tert-butyloxy-3-methylbutanamide

Refernces

• 1、 Cui, Shaoyu,Jiang, Hongli,Chen, Lei,Xu, Jian,Sun, Wenzhuo,Sun, Haopeng,Xie, Zijian,Xu, Yunhui,Yang, Fubai,Liu, Wenyuan,Feng, Feng,Qu, Wei. "Design, synthesis and evaluation of wound healing activity for β-sitosterols derivatives as potent Na+/K+-ATPase inhibitors". . . Retrieved 2020/01/31.
• 2、 -. "O - substituted hydroxylamine hydrochloride and its preparation method (by machine translation)". Paragraph 0072; 0075; 0076. . Retrieved 2018/10/11.