Alanine

Base Information

• Chemical Name: Alanine
• CAS No.: 56-41-7
• Deprecated CAS: 115967-49-2,170805-71-7,6898-94-8,759445-89-1,787635-21-6,1150316-17-8,1150316-17-8,170805-71-7,6898-94-8,759445-89-1,787635-21-6
• Molecular Formula: C3H7NO2
• Molecular Weight: 89.0941
• Hs Code.: 2930901000
• European Community (EC) Number: 200-273-8
• UNII: OF5P57N2ZX
• DSSTox Substance ID: DTXSID20873899
• Nikkaji Number: J9.168E
• Wikipedia: Α-alanine,Alanine
• Wikidata: Q218642
• NCI Thesaurus Code: C29605
• RXCUI: 426
• Pharos Ligand ID: G5LBCJF3K3WF
• Metabolomics Workbench ID: 37109
• ChEMBL ID: CHEMBL279597
• Mol file: 56-41-7.mol

Synonyms:Abufène;Alanine;Alanine, L Isomer;Alanine, L-Isomer;L Alanine;L-Alanine;L-Isomer Alanine

Chemical Property of Alanine

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 314.5 °C (dec.)(lit.)
• Boiling Point: 212.9 °C at 760 mmHg
• PKA: 2.31±0.10(Predicted)
• Flash Point: 82.6 °C
• PSA: 63.32000
• Density: 1.161 g/cm³
• LogP: 0.11850
• Water Solubility.: 166.5 g/L (25℃)
• XLogP3: -3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 89.047678466
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Amino Acids and Derivatives
• Canonical SMILES: CC(C(=O)O)N
• Isomeric SMILES: C[C@@H](C(=O)O)N
• Recent ClinicalTrials: Diagnostic Performance of Fluorescein as an Intraoperative Brain Tumor Biomarker
• Recent EU Clinical Trials: Exploratory study to evaluate the efficacy and safety of nutritionally administering 1.5 g protein/kg/day vs. 1.0 g protein/kg/day in the catabolic phase of the critically ill patient on mechanical ventilation.
• Energetic Properties: Location: Alanine (B5) is energetically located at 10.3 kcal mol鈭?1 above the most stable molecule, B1.; Isomer Rationalization: Stable isomers of alanine can be rationalized by methyl-group substitutions compared to glycine isomers.; Example: Methyl group substitutions generate stable isomers such as B1, B3, and B8 from A1 (A1 鈫? B1, B3, B8).
• Sensing Applications: Description: Alanine (AL) has been utilized as an electrode modifier in sensing applications.; Application: AL modified carbon paste electrodes are used for detecting electroactive compounds like hematoxylin, dopamine, ascorbic acid, serotonin, and guanine.; Benefits: Its biocompatibility and ease of fabrication contribute to its usefulness in sensing applications.
• Therapeutic Potential: Restoration of Tissue Antioxidants: L-alanine has been shown to restore tissue antioxidants, kidney, and liver functions by improving important parameters.; Histopathological Studies: Studies indicate the potential of L-alanine in the regeneration of the islets of Langerhans.; Alleviating Effect on Diabetes: L-alanine has shown an alleviating effect on alloxan-induced diabetes.; Availability: L-alanine is readily available, inexpensive, and present in many foods, suggesting its potential as a food supplement for diabetic patients.

Technology Process of Alanine

There total 528 articles about Alanine 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:

(S)-2-[2-(4-Methoxy-phenyl)-2-oxo-ethoxycarbonylamino]-propionic acid (125219-06-9) → L-alanin (56-41-7,25191-17-7,18875-37-1) + 1-(4-methoxyphenyl)ethanone (100-06-1)

Guidance literature:

Irradiation; mild conditions;

DOI:10.1016/S0040-4039(00)99608-4

Reference yield:

(S)-2-(4-methoxybenzamido) propanoic acid (93709-64-9) → L-alanin (56-41-7,25191-17-7,18875-37-1) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

With water; N-benzoyl-L-alanine amidohydrolase; Product distribution; Kinetics; substrate specifity of N-benzoyl-L-alanine amidohydrolase;

Reference yield:

L-alanine 4-nitrophenyl ester perchlorate (84011-92-7) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + L-alanin (56-41-7,25191-17-7,18875-37-1)

Guidance literature:

With water-d2; In chloroform-d1; d₇-N,N-dimethylformamide; at 25 ℃; Rate constant; with different additives;

DOI:10.1021/ja00264a048

upstream raw materials:

rac-Ala-OH

3-chloro-DL-alanine

L-Aspartic acid

monochloroacetyl-DL-alanine

Downstream raw materials:

L-Alanine methyl ester

L-alanine N-carboxyanhydride

L-glutamic acid

2-oxo-propionic acid

Refernces

• 1、 Gu, Zhenghua,Guo, Zitao,Shao, Jun,Shen, Chen,Shi, Yi,Tang, Mengwei,Xin, Yu,Zhang, Liang. "Recreating the natural evolutionary trend in key microdomains provides an effective strategy for engineering of a thermomicrobial N-demethylase". . . Retrieved 2022/03/09.
• 2、 Jiang, Hong,Yang, Kuiwei,Zhao, Xiangxiang,Zhang, Wenqiang,Liu, Yan,Jiang, Jianwen,Cui, Yong. "Highly Stable Zr(IV)-Based Metal-Organic Frameworks for Chiral Separation in Reversed-Phase Liquid Chromatography". supporting information. p. 390 - 398. Retrieved 2021/01/13.