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H-ASP(OTBU)-OTBU HCL

H-ASP(OTBU)-OTBU HCL structure

CAS No:
1791-13-5
Formula:
C12H24ClNO4
Chemical Name:
H-ASP(OTBU)-OTBU HCL
Synonyms:
L-ASPARTIC ACID DI-T-BUTYL ESTERHYDROCHL ORIDE CRYS;L-ASPARTIC ACID-1,4-DI-TERT-BUTYL ESTER HYDROCHLORIDE;H-Asp(Obut)-Obut hydrochloride;L-Aspartic acid, bis(1,1-dimethylethyl) ester, hydrochloride;H-Asp(OtBu)-OtBu•;H-L-Asp(tBu)-OtBu*HCl;L-ASPARTIC ACID A, B-DI T-BUTYLESTER HYDROCHLORIDE;H-Asp(Obut)-Otbu HCl
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

White powder

H-ASP(OTBU)-OTBU HCL Basic Attributes

Molecular Weight：

281.78

Exact Mass：

281.139374

DSSTox ID：

DTXSID30548925

HScode：

29224999

Characteristics

PSA：

78.6

XLogP3：

2.88950

Appearance：

Solid

Melting Point：

152-155 °C

Boiling Point：

339.8ºC at 760 mmHg

Flash Point：

159.3ºC

Storage Conditions：

−20°C

Vapor Pressure：

6.39E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

H-ASP(OTBU)-OTBU HCL Use and Manufacturing

Methods of Manufacturing

Pd/C (10percent, 830 mg, 10percent w/w) was added to a solution of Cbz-Asp(OtBu)-OtBu 18 (8.25 g, 21.8 mmol) and ammonium formate (34.3 g, 0.54 mol) in ethanol (20 mL) and the suspension stirred overnight at room temperature. The suspension was filtered through Celite and the solvent removed under reduced pressure. The resultant residue was uptaken in ethyl acetate and cooled to 0 °C and a saturated solution of HCl in ethyl acetate was added dropwise and the solution stirred for 15 min. The precipitated solid was filtered, washed with cold ethyl acetate and dried under vacuum to give NH2-Asp(OtBu)-OtBu hydrochloride, 16 (4.28 g, 17.4 mmol, 80percent) as a white solid, which was used without any further purification

Uses

L-Aspartic acid di-tert-butyl ester hydrochloride can be used in the comparative study of nerve function, similar to the structure of compounds, such as L-glutamic acid di-tert-butyl ester (G116986).

Computed Properties

Molecular Weight:281.77
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:281.1393859
Monoisotopic Mass:281.1393859
Topological Polar Surface Area:78.6
Heavy Atom Count:18
Complexity:286
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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L-Aspartic acid di-tert-butyl ester hydrochloride

CAS No.: 1791-13-5

Content: 99.00%

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