[Ethoxy(phenyl)methylidene]azanium;chloride

Base Information

• Chemical Name: [Ethoxy(phenyl)methylidene]azanium;chloride
• CAS No.: 5333-86-8
• Molecular Formula: C9H11NO^.HCl
• Molecular Weight: 185.653
• Hs Code.: 2925290090
• Mol file: 5333-86-8.mol

Synonyms:[ethoxy(phenyl)methylidene]azanium;chloride;AKOS000280906

Chemical Property of [Ethoxy(phenyl)methylidene]azanium;chloride

Chemical Property:

• Vapor Pressure: 0.666mmHg at 25°C
• Melting Point: ~125 °C (dec.)
• Refractive Index: 1.502
• Boiling Point: 192.9 °C at 760 mmHg
• Flash Point: 70.5 °C
• PSA: 33.08000
• Density: 0.98 g/cm³
• LogP: 2.95020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

HNMR 96% ^*data from raw suppliers

Ethyl benzimidate hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=[NH2+])C1=CC=CC=C1.[Cl-]
• Uses: Ethyl benzimidate hydrochloride is used in the preparation of (4R)-ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate by reacting with (R)-ethyl cysteine hydrochloride. It also reacts with D-penicillamine methyl ester hydrochloride and triethylamine to prepare methyl-5,5- dimethyl-2-phenyl-2-thiazoline-4-carboxylate. Further, it is used as an intermediate for organic synthesis. Intermediate for synthesis

Technology Process of [Ethoxy(phenyl)methylidene]azanium;chloride

There total 8 articles about [Ethoxy(phenyl)methylidene]azanium;chloride 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: 92.6%

→ ethyl benzimidate hydrochloride (5333-86-8)

Guidance literature:

Reference yield: 92.0%

ethanol (64-17-5) + benzonitrile (100-47-0) → ethyl benzimidate hydrochloride (5333-86-8)

Guidance literature:

With hydrogenchloride; In benzene; for 18h; Ambient temperature;

DOI:10.1055/s-1993-25842

Reference yield: 83.0%

N-amino(p-nitrophenyl)dichlorosulfurane (101414-51-1) → 4-nitro-benzenesulfinyl chloride (13088-17-0) + ethyl benzimidate hydrochloride (5333-86-8)

Guidance literature:

With formic acid; In benzene; at 20 ℃; for 16h;

upstream raw materials:

ethanol

benzonitrile

N-amino(p-nitrophenyl)dichlorosulfurane

N-chloro-benzimidic acid ethyl ester

Downstream raw materials:

4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine

triethoxymethylbenzene

benzamide

5-Methyl-2-phenyl-2-oxazoline

Refernces

Synthesis of 8-[¹⁸O]hydroxy-2'-deoxyguanosine

10.1002/jlcr.2580340213

The research aims to develop a method for synthesizing 8-[18O]hydroxy-2'-deoxyguanosine (8-[18O]OH-dG) to be used as an internal standard for the quantification of 8-hydroxy-2'-deoxyguanosine (oh8dG) by GC-MS. oh8dG is a significant marker of oxidatively damaged DNA, which is relevant in carcinogenesis, mutagenesis, and toxicology. The synthesis process involves several steps, starting with the bromination of 2'-deoxyguanosine to produce 8-bromo-2'-deoxyguanosine, followed by the conversion to 8-[18O]benzyloxy-2'-deoxyguanosine using the sodium salt of [18O]benzyl alcohol, and finally, the reduction to 8-[18O]hydroxy-2'-deoxyguanosine through catalytic transfer hydrogenation. Key chemicals used include 2'-deoxyguanosine, bromine, ethyl benzimidate hydrochloride, H218O, LiAlH4, sodium hydride, and palladium on carbon. The overall yield of 8-[18O]OH-dG from H218O was approximately 4%, with an isotopic purity of 93.4 atom% as determined by GC-MS. The synthesized compound meets the required purity standards for its intended application as an internal standard in the analysis of oh8dG extracted from in vivo DNA and urine.