Di-tert-butyl phosphite supplier

Name
DI-TERT-BUTYL PHOSPHITE
EINECS 235-996-8
CAS No. 13086-84-5
Article Data20
CAS DataBase
Density 0.995
Solubility
Melting Point >235 °C (decomp)(Solv: hexane (110-54-3))
Formula C₈H₁₉O₃P
Boiling Point 254.9oC at 760mmHg
Molecular Weight 194.211
Flash Point 108oC
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms Phosphonicacid, di-tert-butyl ester (8CI);tert-Butyl phosphonate ((C4H9O)2PH(O))(6CI,7CI);Di-tert-butyl phosphonate;tert-Butylphosphite ((C4H9O)2P(OH));
PSA 52.28000
LogP 2.83580

Synthetic route

: 86660-77-7
bis(N,N-diisopropylamino)phosphine

: 75-65-0
tert-butyl alcohol

A: 13086-84-5
di-tert-butyl phosphite

B: 2171-76-8
bis(trimethylsiloxy)phosphine

Conditions

Conditions	Yield
In benzene for 168h; Heating; Title compound not separated from byproducts;	A 97% B 3%

...Expand

: 15205-62-6
tri(tert-butyl)phosphite

: 79-10-7
acrylic acid

A: 13086-84-5
di-tert-butyl phosphite

B: 3-(di-tert-butoxyphosphoryl)propionic acid

C: 115-11-7
isobutene

Conditions

Conditions	Yield
In dichloromethane for 2h; Heating;	A 95% B n/a C n/a

...Expand

: 868-85-9
Dimethyl phosphite

: 75-65-0
tert-butyl alcohol

: 13086-84-5
di-tert-butyl phosphite

Conditions

Conditions	Yield
With calcium hydroxide at 130℃; under 760.051 Torr; Reflux; Inert atmosphere;	91.5%

: 865-48-5
sodium t-butanolate

: 13086-84-5
di-tert-butyl phosphite

Conditions

Conditions	Yield
With phosphorus trichloride In 2-methyltetrahydrofuran at 0 - 20℃; for 1h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere;	85%

: 75-65-0
tert-butyl alcohol

: 13086-84-5
di-tert-butyl phosphite

Conditions

Conditions	Yield
With triethylamine; Petroleum ether; phosphorus trichloride
With pyridine; diethyl ether; phosphorus trichloride
With triethylamine; phosphorus trichloride

: 75-65-0
tert-butyl alcohol

A: 13086-84-5
di-tert-butyl phosphite

B: 15205-62-6
tri(tert-butyl)phosphite

Conditions

Conditions	Yield
With triethylamine; Petroleum ether; phosphorus trichloride

: 15205-62-6
tri(tert-butyl)phosphite

: 13086-84-5
di-tert-butyl phosphite

Conditions

Conditions	Yield
Heating;
With sulfuric acid Heating;
With diethyl phosphorylchloridite at 50℃;

: 75-65-0
tert-butyl alcohol

A: 13086-84-5
di-tert-butyl phosphite

B: 16540-40-2
phosphonic acid mono-tert-butyl ester

Conditions

Conditions	Yield
With P4O6 for 1h;
With P4O6 for 1h; Title compound not separated from byproducts;

: 75-65-0
tert-butyl alcohol

A: 13086-84-5
di-tert-butyl phosphite

B: 56317-67-0
C4H11O3P*H3N

Conditions

Conditions	Yield
With P4O6; ammonia 1.) 1 h; Multistep reaction;

: 96357-74-3
2,4,6-tris(2,6-di-tert-butyl-4-methylphenoxy)-1,3,5,2,4,6,trioxatriphosphorinane

: 75-65-0
tert-butyl alcohol

A: 13086-84-5
di-tert-butyl phosphite

B: C19H33O3P

Conditions

Conditions	Yield
1.) 300-350 deg C, 1E-6 to 1E-5 torr, 2.) -195 deg C to r.t.; Multistep reaction. Title compound not separated from byproducts;

...Expand

: 13086-84-5
di-tert-butyl phosphite

: 219316-53-7
7-Formyl-naphthalene-2-carboxylic acid benzyl ester

: 219316-54-8
7-[(Di-tert-butoxy-phosphoryl)-hydroxy-methyl]-naphthalene-2-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 2.5h;	98%

: 13086-84-5
di-tert-butyl phosphite

: 50-00-0
formaldehyd

: 5824-40-8
Triphenylmethylamin

: di-tert-butyl ((tritylamino)methyl)phosphonate

Conditions

Conditions	Yield
Stage #1: formaldehyd; Triphenylmethylamin In water; toluene at 20℃; for 20h; Inert atmosphere; Stage #2: di-tert-butyl phosphite With triethylamine In toluene Inert atmosphere; Dean-Stark; Reflux;	97%

...Expand

: 13086-84-5
di-tert-butyl phosphite

: 589-15-1
1-bromomethyl-4-bromobenzene

: 300583-37-3
[(4-bromophenyl)methyl]-phosphonoic acid bis(tert-butyl) ester

Conditions

Conditions	Yield
Stage #1: di-tert-butyl phosphite With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: 1-bromomethyl-4-bromobenzene In tetrahydrofuran for 20h; Heating; Further stages.;	95%

: 13086-84-5
di-tert-butyl phosphite

: 104-81-4
4-Methylbenzyl bromide

: 174969-89-2
(4-methylbenzyl)phosphonic acid di-tert-butyl ester

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran for 20h; Heating;	94%
With tetra-(n-butyl)ammonium iodide; caesium carbonate In N,N-dimethyl-formamide at 20℃; for 48h;	90%

: 13086-84-5
di-tert-butyl phosphite

: 81290-20-2
(trifluoromethyl)trimethylsilane

: di-tert-butyl (difluoro(trimethylsilyl)methyl)phosphonate

Conditions

Conditions	Yield
Stage #1: di-tert-butyl phosphite With lithium chloride; lithium tert-butoxide In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere; Sealed tube; Glovebox; Stage #2: (trifluoromethyl)trimethylsilane In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Sealed tube; Glovebox;	94%

: 13086-84-5
di-tert-butyl phosphite

: 582-61-6
benzoyl azide

: di-tert-butyl benzoylphosphoramidate

Conditions

Conditions	Yield
With chloro-trimethyl-silane; triethylamine In dichloromethane at 20℃; for 18h;	93%

: 13086-84-5
di-tert-butyl phosphite

: 219316-43-5
6-formyl-2-naphthalenecarboxylic acid benzyl ester

: 219316-44-6
6-[(Di-tert-butoxy-phosphoryl)-hydroxy-methyl]-naphthalene-2-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With aluminum oxide at 75℃; for 1h;	91%

: 13086-84-5
di-tert-butyl phosphite

: 5503-12-8
L-perillaldehyde

: 226997-01-9
(R)-(p-menth-1,8-dien-7-ol-7-yl)phosphonic acid di-tert-butyl ester

Conditions

Conditions	Yield
With sodium ethanolate; triethylamine In ethanol; benzene for 0.25h; Ambient temperature;	91%

: 13086-84-5
di-tert-butyl phosphite

: 50-00-0
formaldehyd

: 115989-10-1
di-tert-butyl (hydroxymethyl)phosphonate

Conditions

Conditions	Yield
With triethylamine In water at 20℃; Temperature; Reagent/catalyst;	91%
With triethylamine In water
With triethylamine In water
With triethylamine In water at 20℃;

: 13086-84-5
di-tert-butyl phosphite

: 33494-81-4
phosphoric acid di-tert-butyl ester

Conditions

Conditions	Yield
With potassium permanganate; sodium hydrogencarbonate In water	89%
With potassium permanganate; sodium hydrogencarbonate In water Cooling with ice;	89%
Stage #1: di-tert-butyl phosphite With sodium hydrogencarbonate In water at 0℃; for 0.333333h; Stage #2: With potassium permanganate at 20℃; for 1h;	89%

: 13086-84-5
di-tert-butyl phosphite

: 4044-98-8
6-bromo-2-phenylimidazo[1,2-a]pyridine

: di-tert-butyl (2-phenylimidazo[1,2-a]pyridin-6-yl)phosphonate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 110℃; for 2h; Inert atmosphere;	89%

: 13086-84-5
di-tert-butyl phosphite

: 26386-88-9
diphenyl phosphoryl azide

: di-tert-butyl diphenyl imidodiphosphate

Conditions

Conditions	Yield
With chloro-trimethyl-silane; triethylamine In dichloromethane at 20℃; for 18h;	89%

: 13086-84-5
di-tert-butyl phosphite

: 2-(4-trifluoromethylphenyl)-3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

: C29H34F3O8P

Conditions

Conditions	Yield
With dmap; N-ethyl-N,N-diisopropylamine In tetrachloromethane; dichloromethane at 0℃; for 5h; Inert atmosphere;	88%

: 504-29-0
2-aminopyridine

: 13086-84-5
di-tert-butyl phosphite

: 12093-10-6
ferrocenecarboxaldehyde

: fc-CH(C5H5N2)-PO(OC(CH3)3)2

Conditions

Conditions	Yield
room temp.;	86%

...Expand

: 13086-84-5
di-tert-butyl phosphite

: 645-96-5
Benzeneselenol

: C14H23O3PSe

Conditions

Conditions	Yield
With tetrabutylammomium bromide In acetonitrile at 20℃; for 6h; Electrochemical reaction;	86%

: 111-49-9
hexamethylene imine

: 13086-84-5
di-tert-butyl phosphite

: 1384959-08-3
C14H30NO3P

Conditions

Conditions	Yield
Stage #1: hexamethylene imine With tetrachloromethane; triethylamine at 0℃; Todd-Atherton reaction; Stage #2: di-tert-butyl phosphite at 0 - 20℃; for 2h; Todd-Atherton reaction;	85%

: 13086-84-5
di-tert-butyl phosphite

: 59346-65-5
di-tert-butyl phosphorobromidate

Conditions

Conditions	Yield
With sodium hydroxide; carbon tetrabromide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane; water at 25℃; for 3.33333h;	84%
With sodium hydroxide; carbon tetrabromide; N-benzyl-N,N,N-triethylammonium chloride
With carbon tetrabromide; N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane; water at 25℃; for 3h;

: 13086-84-5
di-tert-butyl phosphite

: 6560-65-2
2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxaldehyde

: 357966-07-5
[hydroxy-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]phosphonic acid di-tert-butyl ester

Conditions

Conditions	Yield
Stage #1: di-tert-butyl phosphite With sodium hydride In tetrahydrofuran at 20℃; for 0.25h; Stage #2: 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxaldehyde In tetrahydrofuran at 0 - 20℃; for 1h;	82%

: 13086-84-5
di-tert-butyl phosphite

: 51451-35-5
[1,1’-biphenyl]-4-yl sulfurofluoridate

: C20H27O3P

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; N-ethyl-N,N-diisopropylamine In acetonitrile at 80℃; for 5h; Sealed tube;	80%

: 13086-84-5
di-tert-butyl phosphite

: C19H24O6

: C27H43O9P

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 1.5h; Michael Addition; Darkness; stereoselective reaction;	80%

: 13086-84-5
di-tert-butyl phosphite

: 63735-42-2
sodium naphthalen-2-ylsulfinate

: 1600534-25-5
di(tert-butyl) naphthalen-2-ylphosphonate

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; tetrabutyl-ammonium chloride; silver carbonate In dimethyl sulfoxide at 80℃; for 9h; Schlenk technique;	78%

: 13086-84-5
di-tert-butyl phosphite

: 74-88-4
methyl iodide

: 17123-05-6
Di-tert-butyl methylphosphonate

Conditions

Conditions	Yield
Stage #1: di-tert-butyl phosphite With sodium hydride In acetonitrile; mineral oil at 20℃; for 0.5h; Stage #2: methyl iodide In acetonitrile; mineral oil at 50℃; Cooling with ice;	76%
Stage #1: di-tert-butyl phosphite With sodium hydride In acetonitrile; mineral oil at 20℃; for 0.5h; Stage #2: methyl iodide In acetonitrile; mineral oil at 50℃;	76%
Stage #1: di-tert-butyl phosphite With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 1.16667h; Stage #2: methyl iodide In tetrahydrofuran; mineral oil at 0 - 20℃;	57.5%

: 13086-84-5
di-tert-butyl phosphite

: 56119-60-9
phosphorus oxychloride di-tert-butyl ester

Conditions

Conditions	Yield
With tetrachloromethane; N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane; water at 20 - 25℃;	75%
With tetrachloromethane; sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride

: 13086-84-5
di-tert-butyl phosphite

: 101-83-7
N-cyclohexyl-cyclohexanamine

: 85254-21-3
dicyclohexylammonium O,O-di-tert-butyl phosphorothioate

Conditions

Conditions	Yield
With sulfur for 24h; Ambient temperature;	75%

: 13086-84-5
di-tert-butyl phosphite

: 181059-89-2
4-(5,6,7,8-tetrahydronaphthyloxy)benzaldehyde

: 219658-86-3
{Hydroxy-[4-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-phenyl]-methyl}-phosphonic acid di-tert-butyl ester

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran; hexane at -78 - 20℃;	75%

: 13086-84-5
di-tert-butyl phosphite

: 125010-60-8
1-bromo-5-<(tert-butyldiphenylsilyl)oxy>-pentane

: C29H47O4PSi

Conditions

Conditions	Yield
Stage #1: di-tert-butyl phosphite With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 1-bromo-5-<(tert-butyldiphenylsilyl)oxy>-pentane In N,N-dimethyl-formamide at 20℃; for 16h;	75%

Di-tert-butyl phosphite Specification

The Phosphonic acid,bis(1,1-dimethylethyl) ester, with CAS registry number 13086-84-5, has the systematic name of di-tert-butyl hydrogen phosphite. Besides, it is also called Phosphorous acid di-tert-butyl ester. And the chemical formula of this chemical is C₈H₁₉O₃P. What's more, its EINECS is 235-996-8.

Physical properties of Phosphonic acid,bis(1,1-dimethylethyl) ester are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 702.71; (6)ACD/BCF (pH 7.4): 691.64; (7)ACD/KOC (pH 5.5): 3795.77; (8)ACD/KOC (pH 7.4): 3735.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 41.28 Å²; (13)Flash Point: 108 °C; (14)Enthalpy of Vaporization: 54.21 kJ/mol; (15)Boiling Point: 254.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00517 mmHg at 25°C.

Uses of the Phosphonic acid,bis(1,1-dimethylethyl) ester: It could react with isobutyraldehyde to obtain the (1-hydroxy-2-methyl-propyl)-phosphonic acid di-tert-butyl ester. This reaction needs the reagent of NaH, and the solvent of tetrahydrofuran. The yield is 82 %.

the Phosphonic acid,bis(1,1-dimethylethyl) ester could react with isobutyraldehyde to obtain the (1-hydroxy-2-methyl-propyl)-phosphonic acid di-tert-butyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: O(P(OC(C)(C)C)O)C(C)(C)C
(2)InChI: InChI=1/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h9H,1-6H3
(3)InChIKey: RRJHOMPUEYYASJ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h9H,1-6H3
(5)Std. InChIKey: RRJHOMPUEYYASJ-UHFFFAOYSA-N

Product Name

DI-TERT-BUTYL PHOSPHITE

Synthetic route

Di-tert-butyl phosphite Specification

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