2Rcg2W2dmk

Base Information

• Chemical Name: 2Rcg2W2dmk
• CAS No.: 507475-91-4
• Molecular Formula: C20H40N4O4
• Molecular Weight: 400.562
• UNII: 2RCG2W2DMK
• Nikkaji Number: J1.889.147F
• Mol file: 507475-91-4.mol

Synonyms:2RCG2W2DMK;SCHEMBL4771744;1,4-Bis(1,1-dimethylethyl) 1,4,7,10-tetraazacyclododecane-1,4-diacetate;di-tert-Butyl 2,2'-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate;1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid, 1,4-bis(1,1-dimethylethyl) ester;1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid, bis(1,1-dimethylethyl) ester

Chemical Property of 2Rcg2W2dmk

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 400.30495577
• Heavy Atom Count: 28
• Complexity: 442

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CN1CCNCCNCCN(CC1)CC(=O)OC(C)(C)C

Technology Process of 2Rcg2W2dmk

There total 1 articles about 2Rcg2W2dmk 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: 54.0%

bromoacetic acid tert-butyl ester (5292-43-3) + 1,4,7,10-tetraazacyclododecan (294-90-6) → (7-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid tert-butyl ester (162148-48-3) + 1,4,7-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane (122555-91-3) + di-tert-butyl 2,2′-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate (507475-91-4) + 2-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid

Guidance literature:

With triethylamine; In DMF (N,N-dimethyl-formamide); at 24.84 ℃; for 14 - 20h; Product distribution / selectivity;

Reference yield: 83.0%

benzyl bromide (100-39-0) + di-tert-butyl 2,2′-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate (507475-91-4) → 7-benzyl-1,4-bis(tert-butoxycarbonylmethyl)-1,4,8,11-tetraazacyclododecane

Guidance literature:

With potassium hydrogencarbonate; In acetonitrile; at 20 ℃; for 6h;

DOI:10.1021/jo026436+

Reference yield: 62.0%

C17H16BrNO + di-tert-butyl 2,2′-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate (507475-91-4) → C54H70N6O6

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c4ra16536e

upstream raw materials:

bromoacetic acid tert-butyl ester

1,4,7,10-tetraazacyclododecan