CAS No.80430-22-4,Methyl 5-amino-2-methansulfonyloxybenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80430-22-4
Name:	Methyl 5-amino-2-methansulfonyloxybenzoate

Formula:	C₉H₁₁NO₅S
Molecular Weight:	245.256
Synonyms:	Methyl3-amino-6-methanesulfonyloxybenzoate;
Density:	1.404 g/cm³
Boiling Point:	462.5 °C at 760 mmHg
Flash Point:	233.5 °C
PSA:	104.07000
LogP:	2.05580

Synthetic route

: 80430-22-4
methyl 3-amino-6-methanesulfonyloxybenzoate

: 119-36-8
methyl salicylate

: methyl 2-hydroxy-5-[(4-methanesulfonyloxy-3-methoxycarbonylphenyl)azo]benzoate

Conditions

Conditions	Yield
Stage #1: methyl 3-amino-6-methanesulfonyloxybenzoate With hydrogenchloride; sodium nitrite for 2h; Cooling with ice; Stage #2: methyl salicylate With potassium hydroxide at 0℃; for 2h; pH=8;	84.297%

: 80430-22-4
methyl 3-amino-6-methanesulfonyloxybenzoate

: 17302-46-4
methyl 2-hydroxy-5-nitrobenzoate

: 124-63-0
methanesulfonyl chloride

: 119-36-8
methyl salicylate

: disodium azodisalicylate

Conditions

Conditions	Yield
With hydrogenchloride; potassium hydroxide; sodium hydroxide; sodium carbonate; sodium nitrite; palladium In pyridine; methanol; ice-water; ethanol; water; acetic acid; isopropyl alcohol; toluene

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Specification

The Methyl 5-amino-2-methansulfonyloxybenzoate, with the CAS registry number 80430-22-4, is also known as Methyl 3-amino-6-methansulfonyloxybenzoate. This chemical's molecular formula is C₉H₁₁NO₅S and formula weight is 245.25. What's more, its systematic name is called methyl 5-amino-2-[(methylsulfonyl)oxy]benzoate.

Physical properties of Methyl 5-amino-2-methansulfonyloxybenzoate: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 13.65; (4)ACD/KOC (pH 7.4): 13.66; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 104.07 Å²; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 56.66 cm³; (11)Molar Volume: 174.6 cm³; (12)Surface Tension: 56 dyne/cm; (13)Density: 1.404 g/cm³; (14)Flash Point: 233.5 °C; (15)Enthalpy of Vaporization: 72.35 kJ/mol; (16)Boiling Point: 462.5 °C at 760 mmHg; (17)Vapour Pressure: 9.83E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(C)(=O)Oc1ccc(N)cc1C(=O)OC
(2)InChI: InChI=1/C9H11NO5S/c1-14-9(11)7-5-6(10)3-4-8(7)15-16(2,12)13/h3-5H,10H2,1-2H3
(3)InChIKey: AFAXOMKIWYLNSJ-UHFFFAOYAS