methyl (2Z)-2-chloro-2-hydroxyiminoacetate

Base Information

• Chemical Name: methyl (2Z)-2-chloro-2-hydroxyiminoacetate
• CAS No.: 30673-27-9
• Molecular Formula: C3H4ClNO3
• Molecular Weight: 137.523
• European Community (EC) Number: 861-439-9
• Mol file: 30673-27-9.mol

Synonyms:30673-27-9;methyl 2-chloro-2-(hydroxyimino)acetate;2-Chloro-2-(hydroxyimino)acetic Acid Methyl Ester;methyl (2Z)-2-chloro-2-hydroxyiminoacetate;Chloro-glyoxylic Acid Methyl Ester 2-OxiMe;methyl (2Z)-2-chloro-2-(hydroxyimino)acetate;847357-49-7;SCHEMBL15395937;MFCD17215004;AKOS024462251;methyl (2Z)-chloro(hydroxyimino)ethanoate;EN300-66814;Methyl (Z)-2-chloro-2-(hydroxyimino)acetate;A921584

Chemical Property of methyl (2Z)-2-chloro-2-hydroxyiminoacetate

Chemical Property:

• Melting Point: 63-65 °C
• Boiling Point: 216.7±23.0 °C(Predicted)
• PKA: 7.54±0.10(Predicted)
• PSA: 58.89000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 0.18590
• Solubility.: Chloroform
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 136.9879707
• Heavy Atom Count: 8
• Complexity: 122

Purity/Quality:

99%, ^*data from raw suppliers

2-Chloro-2-(hydroxyimino)aceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=NO)Cl
• Isomeric SMILES: COC(=O)/C(=N/O)/Cl
• Uses: 2-Chloro-2-(hydroxyimino)acetic Acid Methyl Ester is useful in the preparation of industrial microbicides.

Technology Process of methyl (2Z)-2-chloro-2-hydroxyiminoacetate

There total 1 articles about methyl (2Z)-2-chloro-2-hydroxyiminoacetate 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: 10.0%

C3H3ClNO4(1-)*H4N(1+) (34428-16-5) → Chloronitroacetic acid methyl ester (82208-51-3) + methyl chlorooximidoacetate (30673-27-9)

Guidance literature:

With thionyl chloride; In diethyl ether; for 0.25h; Heating;

DOI:10.1007/BF00953447

Reference yield: 83.0%

methyl chlorooximidoacetate (30673-27-9) + E-1-(4'-methoxyphenyl)prop-1-ene (4180-23-8,25086-72-0,63589-56-0) → (4R,5S)-4-(4-Methoxy-phenyl)-5-methyl-4,5-dihydro-isoxazole-3-carboxylic acid methyl ester + (4S,5S)-5-(4-Methoxy-phenyl)-4-methyl-4,5-dihydro-isoxazole-3-carboxylic acid methyl ester

Guidance literature:

With triethylamine; In diethyl ether; for 5h; Title compound not separated from byproducts;

DOI:10.1016/S0957-4166(96)00507-1

Reference yield: 75.0%

Allylbenzylamine (4383-22-6) + methyl chlorooximidoacetate (30673-27-9) → (Allyl-benzyl-amino)-[(Z)-hydroxyimino]-acetic acid methyl ester

Guidance literature:

In N,N-dimethyl-formamide; at 50 - 70 ℃; for 2h;

DOI:10.1021/ol047628p

upstream raw materials:

C₃H₃ClNO₄^(1-)*H₄N⁽¹⁺⁾

Downstream raw materials:

Endo-4-phenyl-8-methoxycarbonyl-3,5,10-trioxa-9-azabicyclo<5,3,0>-8-decene

Exo-4-phenyl-8-methoxycarbonyl-3,5,10-trioxa-9-azabicyclo<5,3,0>-8-decene

5-Methyl-4,5-dihydro-isoxazole-3-carboxylic acid methyl ester

6-Benzhydrylidene-6,6a-dihydro-3aH-cyclopenta[d]isoxazole-3-carboxylic acid methyl ester