CAS No.113525-88-5,Carbamic acid, (2-hydroxy-1-methoxyethyl)-, 1,1-dimethylethyl ester (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113525-88-5
Name:	Carbamic acid, (2-hydroxy-1-methoxyethyl)-, 1,1-dimethylethyl ester (9CI)

Formula:	C₈H₁₇NO₄
Molecular Weight:	191.227
Synonyms:	Carbamic acid, (2-hydroxy-1-methoxyethyl)-, 1,1-dimethylethyl ester (9CI);CARBAMICACID,(2-HYDROXY-1-METHOXYETHYL)-,1,1-DIMETHYLETHYLESTER;tert-Butyl N-(2-hydroxy-1-methoxyethyl)carbamate;tert-Butyl (2-hydroxy-1-Methoxyethyl)carbaMatetert-Butyl (2-hydroxy-1-Methoxyethyl)carbaMate;tert-Butyl (2-hydroxy-1-Methoxyethyl)carbaMate
Density:	1.079 g/cm³
Boiling Point:	306.5 °C at 760 mmHg
Flash Point:	139.2 °C
PSA:	67.79000
LogP:	0.86680

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Specification

This chemical is called Carbamic acid, (2-hydroxy-1-methoxyethyl)-, 1,1-dimethylethyl ester (9CI), and its systematic name is tert-Butyl (2-hydroxy-1-methoxyethyl)carbamate. With the molecular formula of C₈H₁₇NO₄, its molecular weight is 191.22. The CAS registry number of this chemical is 113525-88-5. Additionally, its product category is N-BOC.

Other characteristics of the Carbamic acid, (2-hydroxy-1-methoxyethyl)-, 1,1-dimethylethyl ester (9CI) can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 73.96; (8)ACD/KOC (pH 7.4): 73.92; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 67.79 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 47.68 cm³; (15)Molar Volume: 177.1 cm³; (16)Polarizability: 18.9×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.079 g/cm³; (19)Flash Point: 139.2 °C; (20)Enthalpy of Vaporization: 63.44 kJ/mol; (21)Boiling Point: 306.5 °C at 760 mmHg; (22)Vapour Pressure: 7.15E-05 mmHg at 25°C.

Production method of this chemical: The Carbamic acid, (2-hydroxy-1-methoxyethyl)-, 1,1-dimethylethyl ester (9CI) could be obtained by the reactant of 4-methoxy-2-oxo-oxazolidine-3-carboxylic acid tert-butyl ester. This reaction needs the reagent of Cs₂CO₃, and the solvent of methanol. The yield is 76 %. In addition, this reaction should be taken for 2 hours at the ambient temperature.

The Carbamic acid, (2-hydroxy-1-methoxyethyl)-, 1,1-dimethylethyl ester (9CI) could be obtained by the reactant of 4-methoxy-2-oxo-oxazolidine-3-carboxylic acid tert-butyl ester

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)NC(CO)OC
2.InChI: InChI=1/C8H17NO4/c1-8(2,3)13-7(11)9-6(5-10)12-4/h6,10H,5H2,1-4H3,(H,9,11)
3.InChIKey: WOUPEUOOKULCDC-UHFFFAOYAM