CID 11009074

Base Information

• Chemical Name: CID 11009074
• CAS No.: 39878-87-0
• Molecular Formula: C8H8ClNO^.HCl
• Molecular Weight: 206.072
• Hs Code.: 2942.00
• Mol file: 39878-87-0.mol

Synonyms:

Chemical Property of CID 11009074

Chemical Property:

• Appearance/Colour: white to off white crystalline powder
• Vapor Pressure: 0.026mmHg at 25°C
• Melting Point: 117 ºC
• Boiling Point: 247.2 ºC at 760 mmHg
• Flash Point: 302 °F
• PSA: 43.09000
• LogP: 2.95410
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: Dimethylsulfoxide, Water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.0061193
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

R)-(-)-2-PhenylglycineChlorideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34-42
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)Cl)[NH3+].[Cl-]
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](C(=O)Cl)[NH3+].[Cl-]
• Uses: R)-(-)-2-Phenylglycine Chloride Hydrochloride in an intermediate in the synthesis of Pivampicillin Hydrochloride which is a semi-synthetic antibiotic related to Penicillin (P223500). Antibacterial.

Technology Process of CID 11009074

There total 1 articles about CID 11009074 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:

(R)-phenylglycine (875-74-1) → d(-)-alpha-phenylglycine chloride hydrochloride (39878-87-0,5321-31-3)

Guidance literature:

With thionyl chloride; In diethyl ether; at -10 ℃;

DOI:10.1016/S0040-4039(00)76640-8

Reference yield: 80.5%

3-trifluoromethylaniline (98-16-8) + d(-)-alpha-phenylglycine chloride hydrochloride (39878-87-0,5321-31-3) → (R)-2-amino-N-(3-trifluoromethylphenyl)-2-phenylacetamide (1292555-10-2)

Guidance literature:

In tetrahydrofuran; at -60 ℃; for 1h;

Reference yield: 43.0%

oleoyl alcohol (143-28-2,593-47-5,84286-21-5) + d(-)-alpha-phenylglycine chloride hydrochloride (39878-87-0,5321-31-3) → (R)-amino-phenyl-acetic acid octadec-9-(Z)-enyl ester hydrochloride (1050481-21-4)

Guidance literature:

In acetonitrile; at 2 - 4 ℃; for 1.5h; Heating / reflux;

upstream raw materials:

(R)-phenylglycine

Downstream raw materials:

6β-((R)-2-amino-2-phenyl-acetylamino)-penicillanic acid (Ξ)-5-oxo-tetrahydro-furan-2-yl ester

talampicillin

6β-((R)-2-amino-2-phenyl-acetylamino)-penicillanic acid (S)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester

6β-((R)-2-amino-2-phenyl-acetylamino)-penicillanic acid (R)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester

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