METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95

Base Information

• Chemical Name: METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95
• CAS No.: 184778-33-4
• Molecular Formula: C₉H₁₀N₂O₃
• Molecular Weight: 194.19
• Hs Code.: 2933998090
• Mol file: 184778-33-4.mol

Synonyms:Methyl 4-(N'-hydroxycarbamimidoyl)benzoate;

Chemical Property of METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95

Chemical Property:

• Vapor Pressure: 1.69E-06mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 381.5 °C at 760 mmHg
• Flash Point: 184.5 °C
• PSA: 84.91000
• Density: 1.28 g/cm³
• LogP: 1.26800

Purity/Quality:

98%min ^*data from raw suppliers

4-(N-Hydroxycarbamimidoyl)-benzoicAcidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95

There total 4 articles about METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95 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: 93.0%

4-cyanobenzoic acid methyl ester (1129-35-7) → methyl (Z)-4-(N’-hydroxycarbamimidoyl)benzoate (184778-33-4,65695-05-8)

Guidance literature:

With 8-quinolinol; hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; for 4h; Reflux;

DOI:10.1021/jm800869t

Reference yield: 86.0%

4-cyanobenzoic acid methyl ester (1129-35-7) → methyl (E)-4-(N'-hydroxycarbamimidoyl)benzoate (184778-33-4,65695-05-8)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In methanol; at 75 ℃; for 6h;

DOI:10.1016/j.ejmech.2018.03.035

Reference yield: 86.0%

→ methyl (E)-4-(N'-hydroxycarbamimidoyl)benzoate (184778-33-4,65695-05-8)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In methanol; at 75 ℃; for 6h;

upstream raw materials:

4-cyanobenzoic acid methyl ester

Downstream raw materials:

methyl 4-(N-carbamimidoyl)benzoate

methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate

methyl 4-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoate

methyl 4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoate

Refernces

• 1、 -. "COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF". Paragraph 0214-0215; 0218. . Retrieved 2019/01/15.
• 2、 -. "FACTOR XIa INHIBITORS". Page/Page column 125. . Retrieved 2015/12/09.