1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane

Base Information

• Chemical Name: 1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane
• CAS No.: 256517-53-0
• Molecular Formula: C₂₂H₃₅NO₆S
• Molecular Weight: 441.589
• Mol file: 256517-53-0.mol

Synonyms:1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane

Chemical Property of 1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane

There total 2 articles about 1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane 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: 80.0%

1-aza-18-crown-6 (33941-15-0) + α-bromo-α'-thioacetyl-m-xylene (256517-52-9) → 1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane (256517-53-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 40 ℃;

DOI:10.1002/(SICI)1099-0682(200002)2000:2<253::AID-EJIC253>3.0.CO;2-M

Reference yield:

1,3-bis-(bromomethyl)benzene (626-15-3) → 1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane (256517-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: K₂CO₃ / dimethylformamide

1.2: 54 percent / dimethylformamide

2.1: 80 percent / K₂CO₃ / dimethylformamide / 40 °C

With potassium carbonate; In N,N-dimethyl-formamide; 1.1: Metallation / 1.2: Substitution / 2.1: Dehydrobromination;

DOI:10.1002/(SICI)1099-0682(200002)2000:2<253::AID-EJIC253>3.0.CO;2-M

Reference yield: 95.0%

1-(α-thioacetyl-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane (256517-53-0) → 1-(α-mercapto-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane (256517-54-1)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 72h;

DOI:10.1002/(SICI)1099-0682(200002)2000:2<253::AID-EJIC253>3.0.CO;2-M

upstream raw materials:

1-aza-18-crown-6

α-bromo-α'-thioacetyl-m-xylene

1,3-bis-(bromomethyl)benzene

Downstream raw materials:

1-(α-mercapto-m-xylyl)-4,7,10,13,16-pentaoxa-1-azacyclooctadecane