CID 7135681

Base Information

• Chemical Name: CID 7135681
• CAS No.: 70702-47-5
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933399090
• Mol file: 70702-47-5.mol

Synonyms:

Chemical Property of CID 7135681

Chemical Property:

• Vapor Pressure: 3.86E-06mmHg at 25°C
• Melting Point: 167-168 °C
• Boiling Point: 344.4 °C at 760 mmHg
• PKA: 1.95±0.10(Predicted)
• Flash Point: 162.1 °C
• PSA: 76.21000
• Density: 1.271 g/cm³
• LogP: 0.73630
• Storage Temp.: 2-8°C
• Solubility.: 1 M HCl: 10 mg/mL, clear, colorless
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

98%,99%, ^*data from raw suppliers

(αR)?-α-Amino-3-pyridinepropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CC(C(=O)[O-])[NH3+]
• Isomeric SMILES: C1=CC(=CN=C1)C[C@H](C(=O)[O-])[NH3+]
• Uses: (αR)?-α-Amino-3-pyridinepropanoic Acid is used to prepare potent and subtype selective ligands derived by N-methylation of a somatostatin antagonist. It is also used to synthesize morphiceptin analogs in brain and mammary adenocarcinoma with μ-receptor binding activities.

Technology Process of CID 7135681

There total 26 articles about CID 7135681 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%

N-acetyl-(β-3-pyridyl)-DL-alanine (170092-30-5) → 2-amino-3-(pyridin-3-yl)propanoic acid (17470-24-5,28105-69-3,64090-98-8,70702-47-5)

Guidance literature:

With hydrogenchloride; water; for 3h; Reflux;

DOI:10.1007/s00726-010-0829-3

Reference yield: 100.0%

N-acetyl-(β-3-pyridyl)-DL-alanine (170092-30-5) → (2R)-2-amino-3-(pyridin-3-yl)propanoic acid (70702-47-5)

Guidance literature:

With ammonium hydroxide; D-aminoacylase amano; at 35 ℃; for 74h;

DOI:10.1021/jm061051v

Reference yield: 81.9%

(S)-BCNpyA → C37H27ClN2O2 + (2R)-2-amino-3-(pyridin-3-yl)propanoic acid (70702-47-5)

Guidance literature:

With hydrogenchloride; water; In methanol; at 20 ℃; for 3h;

upstream raw materials:

5-[3]pyridylmethylene-imidazolidine-2,4-dione

2-(benzoylamino)-3-(3-pyridinyl)-propanoic acid

3,6-bis-[3]pyridylmethylene-piperazine-2,5-dione

acetic anhydride

Downstream raw materials:

2-(4-Chloro-benzylamino)-3-pyridin-3-yl-propionic acid

N-<(1,1-dimethylethoxy)carbonyl>-2,2-dimethyl-β-alanyl-(2S)-2-hydroxy-4-(methylpentanoyl)-(2E,5S,6R,7E)-5-hydroxy-6-methyl-8-phenyl-2,7-octadienoyl-3-(3-pyridinyl)-D-alanine

N-fluorenylmethyloxycarbonyl-3-pyridylalanine-methyl ester

C₂₄H₂₂N₂O₄

Refernces

• 1、 Rosini, Elena,Melis, Roberta,Molla, Gianluca,Tessaro, Davide,Pollegioni, Loredano. "Deracemization and Stereoinversion of α-Amino Acids by l-Amino Acid Deaminase". . p. 3773 - 3781. Retrieved 2017/11/13.
• 2、 -. "METHOD FOR SYNTHESIZING OPTICALLY ACTIVE α-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL]ACETAMIDE COMPOUND AND AMINO ACID". Paragraph 0537; 0538; 0547; 0548. . Retrieved 2016/11/17.