Methyl 2-phenylacetimidate hydrochloride

Base Information

• Chemical Name: Methyl 2-phenylacetimidate hydrochloride
• CAS No.: 39496-45-2
• Molecular Formula: C9H11 N O . Cl H
• Molecular Weight: 185.653
• Hs Code.: 2925290090
• European Community (EC) Number: 868-143-9
• DSSTox Substance ID: DTXSID80498103
• NSC Number: 174874
• Mol file: 39496-45-2.mol

Synonyms:39496-45-2;Methyl 2-phenylacetimidate hydrochloride;methyl 2-phenylethanimidate;hydrochloride;1-METHOXY-2-PHENYLETHANIMINIUM CHLORIDE;METHYL PHENYLACETIMIDATE HYDROCHLORIDE;Benzeneethanimidic acid, methyl ester, hydrochloride;methyl imini ester hydrochloride of phenylacetic acid;SCHEMBL4737475;DTXSID80498103;HYOCTNKCUZZJIH-UHFFFAOYSA-N;Methyl2-phenylacetimidatehydrochloride;NSC174874;METHYL 2-PHENYLACETIMIDATE HCL;AKOS024336106;AM85751;NSC-174874;CS-0301800;EN300-6495673;METHYL 2-PHENYLETHANECARBOXIMIDATE HYDROCHLORIDE;Methyl 2-phenylethanimidate--hydrogen chloride (1/1)

Chemical Property of Methyl 2-phenylacetimidate hydrochloride

Chemical Property:

• Vapor Pressure: 0.335mmHg at 25°C
• Boiling Point: 206.8°Cat760mmHg
• Flash Point: 78.9°C
• PSA: 33.08000
• Density: 0.98g/cm³
• LogP: 2.75450
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

98%min ^*data from raw suppliers

METHYL PHENYLACETIMIDATE HYDROCHLORIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=N)CC1=CC=CC=C1.Cl

Technology Process of Methyl 2-phenylacetimidate hydrochloride

There total 1 articles about Methyl 2-phenylacetimidate 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%

methanol (67-56-1) + phenylacetonitrile (140-29-4) → methyl imini ester hydrochloride of phenylacetic acid (39496-45-2)

Guidance literature:

With hydrogenchloride; In hexane; Cooling with ice;

Reference yield: 85.0%

methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride (5680-80-8) + methyl imini ester hydrochloride of phenylacetic acid (39496-45-2) → (S)-2-benzyl-2-oxazoline-4-carboxylic acid methyl ester (157160-61-7)

Guidance literature:

With triethylamine; In dichloromethane; 0 deg C, 2 h and room t, 24 h;

DOI:10.1016/S0040-4020(01)90418-1

Reference yield: 84.0%

methyl imini ester hydrochloride of phenylacetic acid (39496-45-2) + [(1,3-benzothiazol-2-ylthio)acetyl]hydrazine (24044-91-5) → 2-(5-benzyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-benzothiazole

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1007/BF02283554

upstream raw materials:

methanol

phenylacetonitrile

Downstream raw materials:

(2,2,2-trimethoxyethyl)benzene

2-benzylbenzimidazole

2-benzyl-1-methyl-1H-benzo[d]imidazole

5-(1-Amino-2-phenyl-ethylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

Refernces

• 1、 Hin, Niyada,Duvall, Bridget,Berry, James F.,Ferraris, Dana V.,Rais, Rana,Alt, Jesse,Rojas, Camilo,Slusher, Barbara S.,Tsukamoto, Takashi. "D-Amino acid oxidase inhibitors based on the 5-hydroxy-1,2,4-triazin-6(1H)-one scaffold". . p. 2088 - 2091. Retrieved 2016.
• 2、 Kumar, Yogesh,Shaw, Mukta,Thakur, Rima,Kumar, Amit. "Copper(II)-Mediated Aerobic Oxidation of Benzylimidates: Synthesis of Primary α-Ketoamides". . p. 6617 - 6625. Retrieved 2016/08/16.