Methyl 2-(2-amino-1,3-thiazol-3-ium-4-yl)acetate;chloride

Base Information

• Chemical Name: Methyl 2-(2-amino-1,3-thiazol-3-ium-4-yl)acetate;chloride
• CAS No.: 76629-18-0
• Molecular Formula: C6H9ClN2O2S
• Molecular Weight: 208.67
• Hs Code.: 2934100090
• Mol file: 76629-18-0.mol

Synonyms:SMR000155641;MLS000536756;HMS2383B17

Chemical Property of Methyl 2-(2-amino-1,3-thiazol-3-ium-4-yl)acetate;chloride

Chemical Property:

• PSA: 93.45000
• LogP: 1.82400
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 208.0073264
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

(2-Amino-thiazol-4-yl)-aceticAcidmethylesterhydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CSC(=[NH+]1)N.[Cl-]

Technology Process of Methyl 2-(2-amino-1,3-thiazol-3-ium-4-yl)acetate;chloride

There total 1 articles about Methyl 2-(2-amino-1,3-thiazol-3-ium-4-yl)acetate;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: 99.0%

methanol (67-56-1) + 2-amino-4-thiazoleacetic acid (29676-71-9) → methyl 2-aminothiazole-4-acetate hydrochloride (76629-18-0)

Guidance literature:

With thionyl chloride; for 0.5h;

Reference yield:

2-[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid (383661-55-0) + (3R,5S)-N-propanesulfonyl-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetamide (383653-04-1) + methyl 2-aminothiazole-4-acetate hydrochloride (76629-18-0) → methyl 2-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]aminothiazole-4-acetate (383667-74-1)

Guidance literature:

With thionyl chloride; triethylamine; In tetrahydrofuran; water; N,N-dimethyl-formamide;

Reference yield:

1-cyclohexylmethyl-2-oxo-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carboxylic acid chloride (1038695-04-3) + methyl 2-aminothiazole-4-acetate hydrochloride (76629-18-0) → C25H33N3O4S (1038695-05-4)

Guidance literature:

With triethylamine;

DOI:10.1016/j.bmcl.2012.02.050

upstream raw materials:

methanol

2-amino-4-thiazoleacetic acid

Downstream raw materials:

methyl 2-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]aminothiazole-4-acetate

C₂₅H₃₃N₃O₄S

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