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4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate

4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate structure

CAS No:
145038-53-5
Formula:
C20H19NO6
Chemical Name:
4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate
Synonyms:
L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-,4-methyl ester;4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate;N-9-Fluorenylmethoxycarbonylaspartic acid β-methyl ester;(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino]-4-methoxy-4-oxobutanoic acid;(2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-methoxy-4-oxobutanoic acid;(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methoxy-4-oxobutanoic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate Basic Attributes

Molecular Weight：

369.37

Exact Mass：

369.37

DSSTox ID：

DTXSID70670198

Characteristics

PSA：

102

XLogP3：

2.5

Appearance：

Solid

Density：

1.322±0.06 g/cm3(Predicted)

Melting Point：

122-125 °C @ Solvent: Hexane

Boiling Point：

613.7±55.0 °C(Predicted)

Flash Point：

325.0±31.5 °C

Refractive Index：

1.596

4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate Use and Manufacturing

In a 1 dram vial, (E)-9-(4-(7-(3-aminopropoxy)-5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-carboxamido)-1H-benzo[d]imidazol-1-yl)but-2-en-1-yl)-2-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-8-(3-methoxypropoxy)-9H-pyrimido[4, 5-b]indole-6-carboxamide (Example 33, Step 9: 10 mg, 0.012 mmol) was dissolved in DMF (236 mul). The above solution was cooled to 0 C, (S)-2-((((9H-fluoren-9- yl)methoxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid (2.2 g, 1.5 eq) and EDCI (1.2 g, 1.5 eq) were successively added. The reaction mixture was allowed to warm to r.t. and stirred overnight. The reaction mixture was take up in EtOAc and washed with water and brine. The organic layer was separated, dried, and evaporated to give a crude mixture which was purified on silica gel (elution 1:15 ethyl acetate/DCM) to giveHYB-189 (1.5 g, 76%). 'H NMR (400 MHz, CDC13) 12.10 (s, 1H), 9.76 (s, 1H), 7.88- 7.60 (m, 4H), 7.51 - 7.31 (m, 4H), 6.83 (s, 1H), 6.18-6. 12 (m, 1H), 4.92-4.85 (m, 1H), 4.63 (dd, J = 10.3, 6.6 Hz, 1H), 4.42-4.36 (m, 2H), 3.75 (s, 3H), 3.32-3.25 (m, 1H), 2.88-2.82 (m, 1H), 2.43 (s, 3H).

Computed Properties

Molecular Weight:369.4
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:369.12123733
Monoisotopic Mass:369.12123733
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:543
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Fmoc-L-Aspartic acid 4-methyl ester

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Guide of 4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate

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