CID 6037

Base Information

• Chemical Name: CID 6037
• CAS No.: 59-30-3
• Molecular Formula: C19H19N7O6
• Molecular Weight: 441.403
• Hs Code.: 29362900
• Mol file: 59-30-3.mol

Synonyms:

Chemical Property of CID 6037

Chemical Property:

• Appearance/Colour: orange to yellow crystalline powder
• Melting Point: 250 °C
• Refractive Index: 1.6800 (estimate)
• Boiling Point: 552.35°C (rough estimate)
• PKA: pKa 2.5 (Uncertain)
• PSA: 213.28000
• Density: 1.68 g/cm³
• LogP: 1.00030
• Storage Temp.: 2-8°C
• Solubility.: boiling water: soluble1%
• Water Solubility.: 1.6 mg/L (25 ºC)
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 441.13968135
• Heavy Atom Count: 32
• Complexity: 767

Purity/Quality:

99%min ^*data from raw suppliers

Folic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 33-62-68
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
• Isomeric SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
• Discovery and History: Folic acid's discovery is attributed to Lucy Wills, a medical researcher who identified its role in preventing severe anemia in pregnant textile workers in India in 1930. Initially known as "the Wills Factor," it was later designated as vitamin M, vitamin Bc, Lactobacillus casei growth factor, and eventually vitamin B9. Folic acid was isolated from spinach in 1941, and its industrial synthesis was developed in 1945.
• Chemical Structure: Folic acid has the chemical formula C19H19N7O6 and consists of a heterocyclic pterin structure with a methyl group in the sixth position bound to para-aminobenzoic and glutamic acids. It is also known as pteroylglutamic acid and belongs to the folate group, which includes its derivatives like dihydro-, tetrahydro-, methyl-, and formyl-compounds conjugated with para-aminobenzoyl-glutamate.
• Biological Functions: Folic acid plays a crucial role in various biological processes, including early neurodevelopment and the prevention of neural tube defects, particularly spina bifida. It is involved in homocysteine metabolism, where supplementation can lower serum homocysteine levels and reduce the risk of ischemic heart disease and stroke. National health agencies recommend daily supplementation of folic acid for women of childbearing age to reduce the risk of neural tube defects during pregnancy.
• Fortification and Recommendations: The US Public Health Service recommends that all individuals capable of becoming pregnant consume 400 渭g/day of folic acid to prevent neural tube defects. Fortification of foods with folic acid has been recognized as an effective strategy in populations with limited access to folic acid-rich foods or supplements, ensuring adequate intake for neural tube defect prevention.

Technology Process of CID 6037

There total 56 articles about CID 6037 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: 85.0%

N-(4-aminobenzoyl)-L-glutamic acid (4271-30-1,532-63-8) + 2,5,6-triamino-1,4-dihydropyrimidin-4-one hydrochloride → folate (59-30-3)

Guidance literature:

With 1,1,1-trichloroacetone; sodium sulfite; In water; at 40 - 50 ℃; for 1h; pH=3 - 4; pH-value; Temperature;

Reference yield: 84.0%

→ folate (59-30-3)

Guidance literature:

Reference yield: 83.2%

1,1,3-trichloroacetone (921-03-9) + N-(4-aminobenzoyl)-L-glutamic acid (4271-30-1,532-63-8) + 2,4,5-triamino-6-hydroxypyrimidine sulfate (35011-47-3) → folate (59-30-3)

Guidance literature:

With sodium metabisulfite; at 20 - 30 ℃; for 2h; Temperature; Ionic liquid;

upstream raw materials:

2,5,6-triamino-3,4-dihydro-4-pyrimidinone

1,1,3-trichloroacetone

N-(4-aminobenzoyl)-L-glutamic acid

1,1,3-tribromoacetone

Downstream raw materials:

N¹⁰-(trifluoroacetyl)pyrofolic acid

folic acid, N-hydroxysuccinimide ester

(6S,S)-5,6,7,8-tetrahydrofolic acid

(6R,S)-5,6,7,8-tetrahydrofolic acid

Refernces

• 1、 Il’ina, K. A.,Kozik, V. V.,Skorik, N. A.. "Reaction of Imidazole and 2-Methylimidazole with Copper(II) Salts and Certain Acids". . p. 1714 - 1721. Retrieved 2021/11/24.
• 2、 -. "Preparation method of 2,4,5-triamino-6-hydroxypyrimidine sulfate and folic acid". Paragraph 0098-0121. . Retrieved 2019/04/10.