CAS No.641-74-7,Isomannide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	641-74-7
Name:	Isomannide
Article Data:	50

Formula:	C₆H₁₀O₄
Molecular Weight:	146.143
Synonyms:	Mannitol,1,4:3,6-dianhydro-, D- (8CI);Furo[3,2-b]furan, D-mannitol deriv.;(+)-Isomannide;1,4:3,6-Dianhydro-D-mannitol;1,4:3,6-Dianhydromannitol;Isomannide;NSC 270938;
EINECS:	211-374-1
Density:	1.475 g/cm³
Melting Point:	80-85 °C(lit.)
Boiling Point:	372.053 °C at 760 mmHg
Flash Point:	178.8 °C
Solubility:	almost transparency
Appearance:	Off White Crystals
Safety:	22-24/25
PSA:	58.92000
LogP:	-1.49420

Synthetic route

: 69-65-8
mannitol

: 641-74-7
1,4:3,6-dianhydro-D-mannitol

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; carbonic acid dimethyl ester In methanol at 90℃; for 24h; Time;	92%
With hydrogenchloride In water for 60h; Heating;	72%
With cation-exchange resin In 1,4-dioxane; ethyl acetate at 78 - 84℃; for 24h; Heating;	35%

: 69-65-8
mannitol

A: 641-74-7
1,4:3,6-dianhydro-D-mannitol

B: 27826-73-9
2,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With Hβ zeolite at 139.84℃; for 3h;	A 63% B 12%

: 50-70-4
D-sorbitol

: 616-38-6
carbonic acid dimethyl ester

A: 641-74-7
1,4:3,6-dianhydro-D-mannitol

B: 641-74-7, 652-67-5, 5627-19-0, 24332-71-6, 28218-68-0, 28948-16-5, 28980-83-8, 89825-36-5, 124508-14-1, 151380-60-8
1,4:3,6-dianhydro-L-iditol

C: 5306-85-4
isosorbide dimethyl ether

Conditions

Conditions	Yield
With triethylamine In biphenyl at 90 - 200℃; under 63756.4 Torr; for 48h; Reagent/catalyst; Autoclave; Inert atmosphere;	A 14% B 26% C 60%

...Expand

: 69-65-8
mannitol

A: 641-74-7
1,4:3,6-dianhydro-D-mannitol

B: 7726-97-8
1,4-anhydro-D-mannitol

C: 27826-73-9
2,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With sulfuric acid at 139.84℃; for 1h; Reagent/catalyst;	A 28% B 11% C 52%
With hydrogen fluoride; sodium methylate; acetic acid 1) 45 h, 20 deg C; Yield given. Multistep reaction;
With formic acid; hydrogen fluoride; water 1) 8 min, 20 deg C; Yield given. Multistep reaction;
With hydrogen fluoride; sodium methylate; acetic acid Product distribution; Mechanism; multistep reaction; effect of concentration and time, intermediate acyloxonium ions monitored by 13C-NMR;
With formic acid; hydrogen fluoride; water Product distribution; Mechanism; multistep reaction; effect of concentration and time, intermediate acyloxonium ions monitored by 13C-NMR;

...Expand

: 69-65-8
mannitol

A: 641-74-7
1,4:3,6-dianhydro-D-mannitol

B: 7726-97-8
1,4-anhydro-D-mannitol

C: 492-93-3
1,5-anhydro-D-mannitol

D: 27826-73-9
2,5-anhydro-D-glucitol

Conditions

Conditions	Yield
In water at 249.84℃; for 36h; Kinetics; Temperature; Time;	A n/a B 25% C 6% D 41%
With sulfuric acid In water at 104℃; Product distribution; Rate constant; reaction time dependence;

...Expand

: 69-65-8
mannitol

A: 641-74-7
1,4:3,6-dianhydro-D-mannitol

B: 7726-97-8
1,4-anhydro-D-mannitol

C: 41107-82-8
2,5-anhydro-D-mannitol

Conditions

Conditions	Yield
In water at 276.84℃; for 10h; Kinetics; Temperature;	A n/a B n/a C 40.5%

...Expand

: 69-65-8
mannitol

: 141-78-6
ethyl acetate

A: 73952-88-2
(3R,6R)-6-hydroxyhexahydrofuro[3,2 b]furan-3-yl acetate

B: 641-74-7
1,4:3,6-dianhydro-D-mannitol

Conditions

Conditions	Yield
With calcium sulfate In 1,4-dioxane at 78 - 84℃; for 120h; Heating;	A 11% B n/a

...Expand

: 69-65-8
mannitol

A: 641-74-7
1,4:3,6-dianhydro-D-mannitol

B: 492-93-3
1,5-anhydro-D-mannitol

Conditions

Conditions	Yield
With hydrogenchloride

: 7251-85-6
1,6-dichloro-2S,3S,4S,5S-hexanetetraol

: 641-74-7
1,4:3,6-dianhydro-D-mannitol

Conditions

Conditions	Yield
at 180℃; unter vermindertem Druck;

: 56-23-5
tetrachloromethane

: 69-65-8
mannitol

: 104-15-4
toluene-4-sulfonic acid

: 641-74-7
1,4:3,6-dianhydro-D-mannitol

Conditions

Conditions	Yield
at 140℃;

...Expand

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Specification

The D-Mannitol,1,4:3,6-dianhydro-, with CAS registry number 641-74-7, belongs to the following product categories: (1)Alcohols and Derivatives; (2)Heterocycles. It has the systematic name of 1,4:3,6-dianhydro-D-mannitol. And the chemical formula of this chemical is C₆H₁₀O₄. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of D-Mannitol,1,4:3,6-dianhydro-: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 58.92 Å²; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 32.114 cm³; (13)Molar Volume: 99.011 cm³; (14)Polarizability: 12.731×10^-24cm³; (15)Surface Tension: 56.653 dyne/cm; (16)Enthalpy of Vaporization: 71.639 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1[C@H]2OC[C@@H](O)[C@H]2OC1
(2)InChI: InChI=1/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4-,5-,6-/m1/s1
(3)InChIKey: KLDXJTOLSGUMSJ-KVTDHHQDBJ
(4)Std. InChI: InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4-,5-,6-/m1/s1
(5)Std. InChIKey: KLDXJTOLSGUMSJ-KVTDHHQDSA-N