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L-Asparticacid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl)ester(CAS No. 7536-58-5)

L-Asparticacid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl)ester C16H21NO6 (cas 7536-58-5) Molecular Structure

7536-58-5 Structure

Identification and Related Records

【Name】
L-Asparticacid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl)ester
【CAS Registry number】
7536-58-5
【Synonyms】
Asparticacid, N-carboxy-, 4-benzyl N-tert-butylester, L- (8CI)
(S)-2-tert-Butoxycarbonylaminosuccinic acid 4-benzyl ester
N-(tert-Butoxycarbonyl)aspartic acid b-benzyl ester
N-(tert-Butyloxycarbonyl)-L-asparticacid b-benzyl ester
N-(tert-Butyloxycarbonyl)-b-benzyl-L-aspartic acid
N-[(1,1-Dimethylethoxy)carbonyl]-L-aspartic acid 4-(phenylmethyl)ester
N-tert-Butoxycarbonyl-L-aspartic acid 4-benzylester
N-tert-Butoxycarbonyl-L-aspartic acid b-benzyl ester
b-Benzyl N-tert-butoxycarbonylaspartate
【EINECS(EC#)】
231-406-8
【Molecular Formula】
C16H21NO6 (Products with the same molecular formula)
【Molecular Weight】
323.34
【Inchi】
InChI=1/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)
【Canonical SMILES】
CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)O
【MOL File】
7536-58-5.mol

Chemical and Physical Properties

【Appearance】
white solid.
【Density】
1.219 g/cm3
【Melting Point】
98-102℃
【Boiling Point】
508.1 °C at 760 mmHg
【Refractive Index】
-20 ° (C=2, DMF)
【Flash Point】
261.1 °C
【Alpha】
-20 o (C=2, DMF)
【Solubilities】
Slightly soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
-20°C
【Computed Properties】
Molecular Weight:323.34104 [g/mol]
Molecular Formula:C16H21NO6
XLogP3-AA:1.9
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:9
Tautomer Count:2
Exact Mass:323.136887
MonoIsotopic Mass:323.136887
Topological Polar Surface Area:102
Heavy Atom Count:23
Formal Charge:0
Complexity:423
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:205

Safety and Handling

【Safety Statements 】
S22;S24/25
【HazardClass】
IRRITANT
【Safety】

Safety Statements: 22-24/25
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
WGK Germany: 3

【Specification】

?Boc-Asp(OBzl)-OH (CAS NO.7536-58-5)?is also called Tboc-l-aspartic acid (obzl) ; t-Butyloxycarbonyl-l-aspartic acid beta-benzyl ester ; n-Boc-l-aspartic acid 4-benzyl ester ; n-alpha-tert-Butyloxycarbonyl-l-aspartic acid beta-benzyl ester ; n-alpha-t-Boc-l-aspartic acid beta-benzyl ester ; n-alpha-t-Boc-l-aspartic-beta-benzyl ester ; n-alpha-t-Butoxycarbonyl-l-aspartic acid beta-benzyl ester ; n-t-butoxycarbonyl-l-aspartic acid beta-benzyl ester .

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member GL Biochem (Shanghai) Ltd.
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Telephone:86-21-15301650010
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
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Telephone:86-27-87465837
Capot Chemical Co., Ltd.
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Telephone:86-571-85586718
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Telephone:86-27-59262863
Shanghai Hope Chem Co., Ltd.
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Telephone:86-21-61723543
Jinan Haohua Industry Co., Ltd.
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Business Type:Manufacturer
Telephone:0086-531-58773055

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