Diazald-N-methyl-13C

Base Information

• Chemical Name: Diazald-N-methyl-13C
• CAS No.: 60858-95-9
• Molecular Formula: C7¹³CH10N2O3S
• Molecular Weight: 215.23
• European Community (EC) Number: 693-083-3
• Mol file: 60858-95-9.mol

Synonyms:60858-95-9;Diazald-N-methyl-13C;Diazald(R)-N-methyl-13C-N-methyl-d3;Diazald(R)-(N-methyl-13C), 99 atom % 13C, 97% (CP)

Chemical Property of Diazald-N-methyl-13C

Chemical Property:

• Melting Point: 61-62 °C(lit.)
• Refractive Index: 1.572
• PSA: 75.19000
• Density: 1.3 g/cm³
• LogP: 2.37770
• Storage Temp.: ?20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 215.04456819
• Heavy Atom Count: 14
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

DIAZALD(R)-N-METHYL-13C 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi,E
• Statements: 20/21/22-43-36/37/38-2
• Safety Statements: 26-36-36/37-35-15

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)N=O
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N([13CH3])N=O

Technology Process of Diazald-N-methyl-13C

There total 4 articles about Diazald-N-methyl-13C 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: 99.0%

N-[13C]methyl-p-toluenesulfonamide → [methyl-13C]N-methyl-N-nitroso-4-toluenesulfonic acid amide (60858-95-9)

Guidance literature:

With acetic acid; sodium nitrite; In water; for 0.333333h; cooling;

DOI:10.1021/jo0107249

Reference yield:

p-toluenesulfonyl chloride (98-59-9) → [methyl-13C]N-methyl-N-nitroso-4-toluenesulfonic acid amide (60858-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / KOH / H₂O; CH₂Cl₂ / 1.5 h

2: 99 percent / NaNO₂; acetic acid / H₂O / 0.33 h / cooling

With potassium hydroxide; acetic acid; sodium nitrite; In dichloromethane; water;

DOI:10.1021/jo0107249

Reference yield:

N-methyl-13C tert-butyl para-toluenesulfonylcarbamate → [methyl-13C]N-methyl-N-nitroso-4-toluenesulfonic acid amide (60858-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / neat (no solvent) / 1 h / 0 - 20 °C

2: sodium chloride; sodium acetate; sodium nitrite; acetic acid / water / 0 °C

With sodium acetate; acetic acid; trifluoroacetic acid; sodium chloride; sodium nitrite; In water;

DOI:10.1002/jlcr.3231

upstream raw materials:

<13C>methylamine hydrochloride

p-toluenesulfonyl chloride

Refernces

• 1、 Ouwerkerk,Steenweg,De Ruijter,Brouwer,Van Boom,Lugtenburg,Raap. "One-pot two-step enzymatic coupling of pyrimidine bases to 2-deoxy-D-ribose-5-phosphate. A new strategy in the synthesis of stable isotope labeled deoxynucleosides". . p. 1480 - 1489. Retrieved 2007/10/03.