CAS No.98674-86-3,(S)-(-)-4-(2-CHLOROPHENYL)-2-HYDROXY-5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINANE 2-OXIDE Suppliers

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Basic Information

CAS No.:

98674-86-3

Name:

(S)-(-)-4-(2-CHLOROPHENYL)-2-HYDROXY-5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINANE 2-OXIDE

Article Data:

Molecular Structure:

Formula:

C₁₁H₁₄ ClO₄ P

Molecular Weight:

276.657

Synonyms:

1,3,2-Dioxaphosphorinane,4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-, 2-oxide, (S)-;(-)-Chlocyphos;(S)-(-)-4-(2-Chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-oxide;

Density:

1.37g/cm³

Melting Point:

228-234 °C(lit.)

Boiling Point:

357.9°C at 760 mmHg

Flash Point:

170.3°C

Hazard Symbols:

Risk Codes:

36/37/38

Safety:

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36

PSA:

65.57000

LogP:

3.55450

Synthetic route

: 98634-28-7
(+)-4-(2-chlorophenyl)-dihydro-2-hydroxy-5,5-dimethyl-4H-1,3,2-dioxaphosphorin-2-oxide

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

: 89-98-5
2-chloro-benzaldehyde

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: KOH / ethanol / 5 h / 50 - 60 °C 2: POCl3, triethylamine / CH2Cl2 / 3 h / Heating 3: aq. NaOH / 0.25 h / 90 - 95 °C View Scheme
Multi-step reaction with 4 steps 1: D-Prolin / N,N-dimethyl-formamide / 17 h / 25 °C 2: sodium tetrahydroborate / methanol / 20 °C 3: trichlorophosphate / dichloromethane / 4 h / Reflux 4: sodium hydroxide / 1 h / 90 °C View Scheme

: 98634-39-0
1-(2'-chlorophenyl)-2,2-dimethyl-1,3-dihydroxy-propane

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: POCl3, triethylamine / CH2Cl2 / 3 h / Heating 2: aq. NaOH / 0.25 h / 90 - 95 °C View Scheme

: 336102-85-3
4-(2-chlorophenyl)-2-chloro-5,5-dimethyl-1,3,2-dioxaphosphorinan 2-oxide

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH / 0.25 h / 90 - 95 °C View Scheme

: 98634-28-7
(+)-4-(2-chlorophenyl)-dihydro-2-hydroxy-5,5-dimethyl-4H-1,3,2-dioxaphosphorin-2-oxide

A: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

B: (R)-(+)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
With barium(II) acetate In methanol Solvent; Reagent/catalyst; Resolution of racemate;
With C22H24N2(2+)*2CF3O3S(1-) In aq. acetate buffer at 20℃; pH=8.1; Resolution of racemate;

: (S)-(-)-3-(2-chlorophenyl)-3-hydroxy-2,2-dimethylpropanal

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium tetrahydroborate / methanol / 20 °C 2: trichlorophosphate / dichloromethane / 4 h / Reflux 3: sodium hydroxide / 1 h / 90 °C View Scheme

: 133164-40-6
(R)-(+)-1-(2'-chlorophenyl)-2,2-dimethyl-1,3-propanediol

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: trichlorophosphate / dichloromethane / 4 h / Reflux 2: sodium hydroxide / 1 h / 90 °C View Scheme

: (S)-(-)-2-chloro-4-(2-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
With sodium hydroxide at 90℃; for 1h;	8.18 g

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

: 133164-40-6
(R)-(+)-1-(2'-chlorophenyl)-2,2-dimethyl-1,3-propanediol

Conditions

Conditions	Yield
With potassium hydroxide In ethylene glycol at 150℃; for 8h;	70%

: 98674-86-3
(S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide

: 133124-13-7
(2S,4S)-(-)-4-(2-chlorophenyl)-5,5-dimethyl-2-(trans-1-propenyl)-1,3-dioxane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 70 percent / potassium hydroxide / ethane-1,2-diol / 8 h / 150 °C 2: 86 percent / 4-toluenesulfonic acid / benzene / 6 h / Heating View Scheme

Raw Materials

89-98-5

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Specification

The (S)-(-)-Chlocyphos, with its cas register number 98674-86-3, is also known to us as (s)-(-)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide. And its product categories are including chiral building blocks; organic building blocks; organic phosphates/phosphites.

The physical properties of this chemical could be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 54.57 ; (5)Index of Refraction: 1.552; (6)Molar Refractivity: 64.43 cm³; (7)Molar Volume: 201.5 cm³; (8)Polarizability: 25.54 ×10^-24 cm³; (9)Surface Tension: 49.6 dyne/cm; (10)Density: 1.37 g/cm³; (11)Flash Point: 170.3 °C; (12)Enthalpy of Vaporization: 63.66 kJ/mol; (13)Boiling Point: 357.9 °C at 760 mmHg; (14)Vapour Pressure: 9.59E-06 mmHg at 25°C.

When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin, and may cause inflammation to the skin or other mucous membranes. So you should take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could convert the following datas information into the molecular structure:
SMILES:O=P1(O)OCC([C@H](O1)c2ccccc2Cl)(C)C
InChI:InChI=1/C11H14ClO4P/c1-11(2)7-15-17(13,14)16-10(11)8-5-3-4-6-9(8)12/h3-6,10H,7H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKey:ZPSPULCZMWMHCY-SNVBAGLBBV