Boc-l-aspartimol t-butyl ester

Name: Boc-l-aspartimol t-butyl ester
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CAS No. 153287-86-6
Cat. No. CS-0209721
Purity≥95%
MDL No.MFCD01632694

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Boc-l-aspartimol t-butyl ester|CS-0209721

Structure of 153287-86-6

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General Information

CAS No. 153287-86-6
Cat. No. CS-0209721
Purity ≥95%
MDL No. MFCD01632694
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₅NO₅
Molecular Weight 275.34
Synonym(s) Boc-L-aspartinol 4-tert-Butyl Ester
SMILES CC(C)(OC(C[C@H](NC(OC(C)(C)C)=O)CO)=O)C

Synthesis

Route1
- 1913-12-8
- ~41%
- 153287-86-6
References
- STICHTING HET NEDERLANDS KANKER INSTITUUT; OVAA, Huib; EKKEBUS, Reggy; VAN KASTEREN, Sander Izaäk; DE JONG, Annemieke; GEURINK, Paulus Petrus Patent: WO2014/7632 A1, 2014 ; Location in patent: Page/Page column 29; 32 ;
Route2
- 18635-49-9
- ~98%
- 153287-86-6
References
- Hamprecht, Dieter; Joesten, Jakob; Steglich, Wolfgang Tetrahedron, 1996 , vol. 52, # 33 p. 10883 - 10902
Route3
- 50715-50-9
- ~97%
- 153287-86-6
References
- Bergeron, Raymond J.; Wiegand, Jan; Weimar, William R.; Vinson, J. R. Timothy; Bussenius, Joerg; Yao, Guo Wei; McManis, James S. Journal of Medicinal Chemistry, 1999 , vol. 42, # 1 p. 95 - 108

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 84.86
LogP 1.6038
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Fatty chain compounds

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Boc-l-aspartimol t-butyl ester

CAS No. 153287-86-6

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