N10-(TRIFLUOROACETYL)PTEROIC ACID

Base Information

• Chemical Name: N10-(TRIFLUOROACETYL)PTEROIC ACID
• CAS No.: 37793-53-6
• Molecular Formula: C16H11 F3 N6 O4
• Molecular Weight: 408.296
• Hs Code.: 29339900
• Mol file: 37793-53-6.mol

Synonyms:Benzoicacid, 4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl](trifluoroacetyl)amino]-(9CI);N10-(Trifluoroacetyl)pteroic acid;N10-Trifluoroacetylpteroic acid;

Chemical Property of N10-(TRIFLUOROACETYL)PTEROIC ACID

Chemical Property:

• Vapor Pressure: 8.54E-18mmHg at 25°C
• Melting Point: 270 °C (dec.)(lit.)
• Refractive Index: 1.697
• Boiling Point: 650.2°Cat760mmHg
• PKA: 4.11±0.10(Predicted)
• Flash Point: 347.1°C
• PSA: 155.42000
• Density: 1.74g/cm³
• LogP: 2.08250
• Storage Temp.: 2-8°C
• Solubility.: DMF (Slightly), DMSO (Slightly)

Purity/Quality:

98%, ^*data from raw suppliers

N10-Trifluoroacetylpteroic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 45-20/21/22-36/37/38
• Safety Statements: 53-22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N10-Trifluoroacetylpteroic acid is a derivative of Pteroic acid (P840110), both of which are used as reagents to synthesize target ligands, like Folic acid (F680300), that have the ability to deliver chemotherapeutic agents specifically to cancer cells.

Technology Process of N10-(TRIFLUOROACETYL)PTEROIC ACID

There total 11 articles about N10-(TRIFLUOROACETYL)PTEROIC ACID 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: 89.0%

trifluoroacetic anhydride (407-25-0) + pteroic acid → N10-(trifluoroacetyl)pteroic acid (37793-53-6)

Guidance literature:

trifluoroacetic anhydride; pteroic acid; at 60 - 65 ℃; for 72h;

With water; In ethanol; for 1h; Heating;

DOI:10.1016/j.bmcl.2004.01.105

Reference yield: 81.0%

pteroic acid (119-24-4) + trifluoroacetic anhydride (407-25-0) → N10-trifluoroacetylpteroic acid (37793-53-6)

Guidance literature:

In dimethyl sulfoxide; at 20 - 25 ℃; for 12h; Inert atmosphere; Darkness;

Reference yield: 56.0%

N10-(trifluoroacetyl)pyrofolic acid (223378-68-5) → N10-trifluoroacetylpteroic acid (37793-53-6) + 2-{4-[(2-Amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl)-(2,2,2-trifluoro-acetyl)-amino]-benzoylamino}-pentanedioic acid

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja971568j

upstream raw materials:

N¹⁰-(trifluoroacetyl)pyrofolic acid

folic acid

pteroyl azide

pteroic acid

Downstream raw materials:

2-{4-[(2-Amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-methanesulfonyl-butyric acid

pteroyl-S-methylhomocysteine sulfoximine

pteroyl-S-ethylhomocysteine sulfoximine

pteroyl-S-propylhomocysteine sulfoximine

Refernces

• 1、 Fukuda, Akane,Fukuda, Akane,Hayashi, Yoshio,Katayama, Yoshiki,Kishimura, Akihiro,Mori, Takeshi,Muguruma, Kyohei,Osawa, Rento,Sasaki, Koichi,Taniguchi, Atsuhiko. "". . . Retrieved .
• 2、 Drey,Priestley. "". . p. 144,144. Retrieved 1977.
• 3、 -. "USES OF ANTI-CD3 ANTIBODY FOLATE BIOCONJUGATES". Paragraph 00347; 00348. . Retrieved 2021/09/03.