Basic Information | Post buying leads | Suppliers | Cas Database |
Conditions | Yield |
---|---|
With phosphorus trichloride In dichloromethane for 0.166667h; | 98% |
With phosphorus trichloride | |
With phosphorus trichloride |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; water at 25℃; Sealed tube; | 92% |
With water In tetrahydrofuran at 20℃; Inert atmosphere; | 82% |
With water In methanol | |
With [Pt(H2O)2(1,1'-bis(diphenylphosphanyl)octamethylferrocene)](trifluoromethylsulfonate)2; water In tetrahydrofuran at 20℃; for 0.0833333h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; Sealed tube; chemoselective reaction; | |
With trifluorormethanesulfonic acid In water at 25℃; for 0.5h; Inert atmosphere; |
methanol
Dimethyl 2-(N-tert-butyl-N-methylamino)benzoylphosphonate
B
Dimethyl phosphite
C
Methyl N-methylanthranilate
Conditions | Yield |
---|---|
Heating; | A 90% B 30% C 5% |
Conditions | Yield |
---|---|
With phosphorus trichloride In chloroform at 0℃; for 0.5h; | A 84% B 16% |
Conditions | Yield |
---|---|
With phosphorus trichloride In chloroform at 25℃; for 0.5h; | A 83% B 3% C 14% |
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol at 0℃; for 0.5h; Title compound not separated from byproducts; | A 80% B n/a |
methanol
A
phosphonic Acid
B
Dimethyl phosphite
C
phosphonic acid monomethyl ester
Conditions | Yield |
---|---|
With phosphorus trichloride at 25℃; for 1h; | A 1% B 73% C 26% |
Conditions | Yield |
---|---|
With phosphorous; 10H-phenothiazine; N,N,N,N-tetraethylammonium tetrafluoroborate In N,N-dimethyl-formamide at 53℃; electrolysis; | A 9% B 71% |
methanol
A
trimethyl phosphite
B
Dimethyl phosphite
C
dimethyl methane phosphonate
Conditions | Yield |
---|---|
With phosphorous; tetraethylammonium iodide In acetonitrile at 18℃; electrolysis; | A 70% B 11% C 3% |
With phosphorous; tetraethylammonium iodide In acetonitrile at 18℃; Mechanism; Product distribution; electrolysis; var. nucleophiles; var. temperatures; | A 70% B 11% C 3% |
With phosphorous In acetonitrile at 18℃; Electrolysis; | A 70% B 11% C 3% |
dimethyl <4-(diphenylmethylene)-1,4-dihydro-1-hydroxynaphthyl>phosphonate
A
4-(diphenylmethylene)-1(4H)-naphthalenone
B
Dimethyl phosphite
Conditions | Yield |
---|---|
under 1 Torr; Heating; | A 69% B n/a |
The Dimethyl phosphonate, with the CAS registry number 868-85-9 and EINECS registry number 212-783-8, is also called phosphonic acid, dimethyl ester. It is a kind of colourless liquid, and belongs to the following product categories: Pharmaceutical Intermediates; Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds. And the molecular formula of this chemical is C2H7O3P. What's more, It is used intermediate in production of insecticides or herbicides, and it is also used as organophosphorus pesticides dipterex and herbicide glyphosate.
The physical properties of Dimethyl phosphonate are as following: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 59 Å2; (7)Flash Point: 29.444 °C; (8)Enthalpy of Vaporization: 39.018 kJ/mol; (9)Boiling Point: 170.499 °C at 760 mmHg; (10)Vapour Pressure: 1.945 mmHg at 25°C.
Preparation of Dimethyl phosphonate: It can be prepared by methanol and phosphorus trichloride:
3CH3OH+PCl3→(CH3O)2POH+2HCl+CH3Cl
Uses of Dimethyl phosphonate: It can react with cyclohexanone to produce (1-hydroxy-cyclohexyl)-phosphonic acid dimethyl ester. This reaction will need catalyst 1,5,7-triazabicyclo[4.4.0]dec-5-ene with temperature of 0°C, and the yield is about 78%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and irritates eyes, and it is also harmful in contact with skin. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC)OC
(2)InChI: InChI=1/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3
(3)InChIKey: HZCDANOFLILNSA-UHFFFAOYAF
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LC | inhalation | > 7100mg/m3/6H (7100mg/m3) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0537047, |
guinea pig | LD50 | oral | 900mg/kg (900mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992. |
mouse | LC | inhalation | > 7100mg/m3/6H (7100mg/m3) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0537047, |
mouse | LD50 | oral | 1831mg/kg (1831mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992. |
mouse | LD50 | subcutaneous | 2610mg/kg (2610mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992. | |
rabbit | LD50 | skin | 681mg/kg (681mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0537044, |
rat | LC50 | inhalation | > 20gm/m3 (20000mg/m3) | Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984, | |
rat | LD50 | oral | 3040mg/kg (3040mg/kg) | National Toxicology Program Technical Report Series. Vol. NTP-TR-287, Pg. 1985, | |
rat | LD50 | subcutaneous | 2970mg/kg (2970mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(4), Pg. 22, 1992. |