CID 7023410

Base Information

• Chemical Name: CID 7023410
• CAS No.: 23239-35-2
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• Mol file: 23239-35-2.mol

Synonyms:

Chemical Property of CID 7023410

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 244-246 °C
• Boiling Point: 312.782 °C at 760 mmHg
• PKA: 2.25±0.10(Predicted)
• Flash Point: 142.966 °C
• PSA: 72.55000
• Density: 1.167 g/cm³
• LogP: 1.66710
• Storage Temp.: Store at RT.
• Water Solubility.: soluble
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99%, ^*data from raw suppliers

α-Methyl-L-phenylalanine ≥97.5% (HPLC), purum, ≥97.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)(C(=O)[O-])[NH3+]
• Isomeric SMILES: C[C@](CC1=CC=CC=C1)(C(=O)[O-])[NH3+]

Technology Process of CID 7023410

There total 111 articles about CID 7023410 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%

ethyl (S)-2-amino-2-methyl-3-phenylpropionate (164453-67-2) → (S)-2-amino-2-methyl-3-phenylpropanoic acid (23239-35-2)

Guidance literature:

ethyl (S)-2-amino-2-methyl-3-phenylpropionate; With lithium hydroxide monohydrate; In ethanol; water; at 25 ℃; for 48h;

With hydrogenchloride; In ethanol; water; pH=2; optical yield given as %ee;

DOI:10.1021/ol802325h

Reference yield: 96.0%

N-(phenylmethoxycarbponyl)-3,4-dimethoxy-α-methylphenlalanal → (S)-2-amino-2-methyl-3-phenylpropanoic acid (23239-35-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 25 ℃; for 2h;

DOI:10.1021/ja00133a011

Reference yield: 93.0%

(3S,5S,6R)-4-(benzyloxycarbonyl)-5,6-diphenyl-3-methyl-3-(phenylmethyl)-2,3,5,6-tetrahydro-4H-1,4-oxazin-2-one (136707-32-9) → (S)-2-amino-2-methyl-3-phenylpropanoic acid (23239-35-2)

Guidance literature:

With hydrogen; palladium dichloride; In tetrahydrofuran; ethanol; for 48h; under 2585.7 Torr;

DOI:10.1021/ja00024a038

upstream raw materials:

DL-N-Trifluoracetyl-α-methylphenylalanin

methyl 2-(phenylmethyl)-2-aminopropionate

α-methyl phenylalanine amide

α-methyl-α-carbethoxy-β-phenethylamine

Downstream raw materials:

L-α-methylphenylalanine methyl ester

Boc-L-α-Methylphenylvalin*Dicyclohexylamin

ethyl (S)-2-amino-2-methyl-3-phenylpropionate

BOC-D-(αMe)Phe-OH

Refernces

• 1、 Blesl, Julia,Trobe, Melanie,Anderl, Felix,Breinbauer, Rolf,Strohmeier, Gernot A.,Fesko, Kateryna. "Application of Threonine Aldolases for the Asymmetric Synthesis of α-Quaternary α-Amino Acids". . p. 3453 - 3458. Retrieved 2018/07/30.
• 2、 -. "METHOD FOR PRODUCING AMINO ACID AND AMINO ACID SYNTHESIS KIT". Paragraph 0130-0133. . Retrieved 2017/04/03.