1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

Description

CAS: 162148-48-3 | C20H40N4O4 | 400.56 g/mol

Intermediate in the preparation of chelating agents.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Intermediate in the preparation of chelating agents.

Solubility
Soluble in acetone, acetonitrile, ethyl Acetate, chloroforme, cyclohexane. Insoluble in water.

Notes
Hygroscopic. Store in cool place.

Specifications

Chemical Identifiers

• CAS: 162148-48-3
• Molecular Formula: C20H40N4O4
• Molecular Weight (g/mol): 400.56
• MDL Number: MFCD09263303
• InChI Key: OERWIIJOLSXGAQ-UHFFFAOYSA-N
• Synonym: di-tert-butyl 2,2'-1,4,7,10-tetraazacyclododecane-1,7-diyl diacetate, 1,7-bis tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane, 1,4,7,10-tetraazacyclododecane-1,7-diacetic acid 1,7-bis 1,1-dimethylethyl ester, tert-butyl 2-7-2-tert-butoxy-2-oxoethyl-1,4,7,10-tetraazacyclododecan-1-yl acetate, 1,4,7,10-tetraazacyclododecane-1,7-bis t-butyl acetate, 1,7-bis carbo-tert-butoxymethyl-1,4,7,10-tetraazacyclododecane, 1,4,7,10-tetraazacyclododecane-1,7-bis acetic acid tert-butyl ester, 1,4,7,10-tetraazacyclododecane-1,7-diacetic acid, bis 1,1-dimethylethyl ester, tert-butyl 2-7-2-tert-butoxy-2-oxo-ethyl-1,4,7,10-tetrazacyclododec-1-yl acetate, tert-butyl 2-7-2-2-methylpropan-2-yl oxy-2-oxoethyl-1,4,7,10-tetrazacyclododec-1-yl acetate
• PubChem CID: 393881
• IUPAC Name: tert-butyl 2-{7-[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetate
• SMILES: CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCNCC1

• Quantity: 250 mg
• Sensitivity: Hygroscopic
• Solubility Information: Soluble in acetone,acetonitrile,ethyl Acetate,chloroforme,cyclohexane. Insoluble in water.
• Formula Weight: 400.56
• Chemical Name or Material: 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only