(1,4,7,10Tetraaza-cyclododec-1-yl)-acetic acid allyl ester

Base Information

• Chemical Name: (1,4,7,10Tetraaza-cyclododec-1-yl)-acetic acid allyl ester
• CAS No.: 1023970-58-2
• Molecular Formula: C13H26N4O2
• Molecular Weight: 270.375
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90705330
• Wikidata: Q82638163
• Mol file: 1023970-58-2.mol

Synonyms:(1,4,7,10tetraaza-cyclododec-1-yl)-acetic acid allyl ester;1023970-58-2;prop-2-enyl 2-(1,4,7,10-tetrazacyclododec-1-yl)acetate;DTXSID90705330;Prop-2-en-1-yl (1,4,7,10-tetraazacyclododecan-1-yl)acetate

Chemical Property of (1,4,7,10Tetraaza-cyclododec-1-yl)-acetic acid allyl ester

Chemical Property:

• PSA: 65.63000
• LogP: -0.27570
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 270.20557608
• Heavy Atom Count: 19
• Complexity: 249

Purity/Quality:

98% ^*data from raw suppliers

(1,4,7,10-TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID ALLYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)CN1CCNCCNCCNCC1

Technology Process of (1,4,7,10Tetraaza-cyclododec-1-yl)-acetic acid allyl ester

There total 1 articles about (1,4,7,10Tetraaza-cyclododec-1-yl)-acetic acid allyl ester 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: 66.0%

allyl chloroacetate (2916-14-5) + 1,4,7,10-tetraazacyclododecan (294-90-6) → (1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid allyl ester (1023970-58-2)

Guidance literature:

In chloroform; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2007.11.044

Reference yield: 81.0%

bromoacetic acid 1-methyl-1-phenylethyl ester + (1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid allyl ester (1023970-58-2) → C46H62N4O8 (1412494-56-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 8h;

DOI:10.1016/j.tetlet.2012.10.007

Reference yield: 78.0%

(1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid allyl ester (1023970-58-2) + 4-nitrobenzyl bromoacetate (16869-24-2) → (4-allyloxycarbonylmethyl-7,10-bis-(4-nitrobenzyloxycarbonylmethyl)-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid 4-nitrobenzyl ester (1023970-62-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2007.11.044

upstream raw materials:

allyl chloroacetate

1,4,7,10-tetraazacyclododecan

Downstream raw materials:

(4-allyloxycarbonylmethyl-7,10-bis-(4-nitrobenzyloxycarbonylmethyl)-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid 4-nitrobenzyl ester

(4-allyloxycarbonylmethyl-7,10-bis-benzyloxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid benzyl ester

C₄₆H₆₂N₄O₈

1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid

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