Dansyl fluoride

Base Information

• Chemical Name: Dansyl fluoride
• CAS No.: 34523-28-9
• Molecular Formula: C12H12 F N O2 S
• Molecular Weight: 253.297
• Hs Code.: 29309090
• European Community (EC) Number: 252-071-4
• DSSTox Substance ID: DTXSID9067853
• Nikkaji Number: J250.908C
• Wikidata: Q81994512
• Mol file: 34523-28-9.mol

Synonyms:5-dimethylaminonaphthalene-1-sulfonyl fluoride;dansyl fluoride

Chemical Property of Dansyl fluoride

Chemical Property:

• Vapor Pressure: 3.74E-05mmHg at 25°C
• Melting Point: 52 °C
• Boiling Point: 352.8°Cat760mmHg
• PKA: 2.35±0.40(Predicted)
• Flash Point: 167.2°C
• PSA: 45.76000
• Density: 1.317g/cm³
• LogP: 3.64480
• Storage Temp.: ?20°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.05727796
• Heavy Atom Count: 17
• Complexity: 363

Purity/Quality:

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

Dansyl Fluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F

Technology Process of Dansyl fluoride

There total 2 articles about Dansyl fluoride 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: 96.0%

5-(dimethylamino)naphth-1-ylsulfonyl chloride (605-65-2) → 5-(dimethylamino)-1-naphthalenesulfonyl fluoride (34523-28-9)

Guidance literature:

With potassium hydrogen difluoride; In water; acetonitrile; at 20 ℃;

DOI:10.1002/anie.201710856

Reference yield:

→ 5-(dimethylamino)-1-naphthalenesulfonyl fluoride (34523-28-9)

Guidance literature:

/BRN= 217205/, KF, CH3CN/18-Kron-6-ether-Komplex;

DOI:10.1021/jo00431a054

Reference yield: 84.0%

5-(dimethylamino)-1-naphthalenesulfonyl fluoride (34523-28-9) + potassium (phenyl((trimethylsilyl)oxy)methylene)amide → N-((5-(dimethylamino)naphthalen-1-yl)sulfonyl)benzamide

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/acs.joc.9b02394

upstream raw materials:

5-(dimethylamino)naphth-1-ylsulfonyl chloride

Downstream raw materials:

dansyltriphenylphosphonium methylide

p-nitrophenyl (dansyldiazomethyl)methylphosphinate

dansyl acid

Refernces

• 1、 Pan, Sijun,Jang, Se-Young,Liew, Si Si,Fu, Jiaqi,Wang, Danyang,Lee, Jun-Seok,Yao, Shao Q.. "A Vinyl Sulfone-Based Fluorogenic Probe Capable of Selective Labeling of PHGDH in Live Mammalian Cells". supporting information. p. 579 - 583. Retrieved 2018/02/21.