Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 76-84-6 | MDL No. : | MFCD00004445 |
Formula : | C19H16O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | LZTRCELOJRDYMQ-UHFFFAOYSA-N |
M.W : | 260.33 | Pubchem ID : | 6457 |
Synonyms : |
Triphenylmethyl alcohol;Triphenylmethanol
|
Num. heavy atoms : | 20 |
Num. arom. heavy atoms : | 18 |
Fraction Csp3 : | 0.05 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 81.43 |
TPSA : | 20.23 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.28 cm/s |
Log Po/w (iLOGP) : | 2.83 |
Log Po/w (XLOGP3) : | 3.68 |
Log Po/w (WLOGP) : | 3.86 |
Log Po/w (MLOGP) : | 4.33 |
Log Po/w (SILICOS-IT) : | 4.41 |
Consensus Log Po/w : | 3.82 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.24 |
Solubility : | 0.015 mg/ml ; 0.0000575 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -3.79 |
Solubility : | 0.0418 mg/ml ; 0.00016 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -6.91 |
Solubility : | 0.0000322 mg/ml ; 0.000000124 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.98 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82.7% | With pyridine In acetonitrile | EXAMPLE 11 Preparation of 1-triphenylmethylimidazole A mixture of pyridine (15 ml), diphenyl phosphite (2.34 g, 10 mmole), imidazole (0.68 g, 10 mmole) and triphenylmethanol (2.08 g, 8 mmole) was refluxed for 3 hours. Pyridine was removed under reduced pressure, and the residue was extracted with dichloromethane. The extract was washed with a 5percent aqueous hydroxide solution and water in order, dried and evaporated. Recrystallization of the residue (2.23 g) from acetonitrile gave 2.05 g of 1-triphenylmethylimidazole as colorless needles. Yield, 82.7percent. M.P., 221°-223° C. Elementary analysis: Calcd. for C22 H18 N2: C, 85.13percent; H, 5.85percent; N, 9.03percent. Found: C, 85.20percent; H, 6.03percent; N, 9.21percent. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With sulfuric acid; acetic acid In tetrahydrofuran at 28 - 30℃; for 4 h; | 100 g of 3-thiopropionic acid (106.14 942.15 nmol) was dissolved in 300 ml of glacial acetic acid at room temperature,B. 245.27 g Trt-OH (260.33 942.15 nmol) was dissolved in 736.79 ml THF at room temperature,C. A step of the product is slowly added to the product of step b,D. 28 ° C-30 ° C was added dropwise 16.62 g of concentrated sulfuric acid (98 169.587 nmol)E. Insulation reaction 4 hours,F. The reaction gave a solid which was filtered to give 360 g of crude product which was dissolved in 720 ml of DMF,G. Plus 5 times the amount of water system, the filter was dried boutique295.5g yield90percent. By infrared, nuclear magnetic structure is positiveIndeed, see Figure 1, Figure 2. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With potassium hydrogensulfate In sodium hydrogencarbonate; N,N-dimethyl-formamide | STEP A). Preparation of 3-Tritylthio-propionic Acid A solution of 0.87 ml (10 mmol) 3-mercaptopropionic acid and 2.86 g (11 mmol) triphenylmethanol in 40 ml N,N-dimethylformamide (AMF) was stirred for 30 min at 60° C. After the solution was cooled to ambient temperature, 1.43 ml (11.4 mmol) borontrifluor etherate was added and the reaction mixture was stirred at 60° C. for 4 hr. The solution was concentrated in vacuo and the residue was dissolved in 500 ml 5percent NaHCO3. The aqueous solution was washed with 250 ml diethyl ether, acidified to pH 3 using 1 M KHSO4, and extracted twice with 500 ml ethyl acetate. The combined ethyl acetate fractions were washed with 250 ml brine and dried over Na2SO4. The product was obtained as a white solid in 90percent yield. 1H-NMR (CDCl3) δ 2.23 (t, 2H, CH2S), 2.46 (t, 2H, CH2COOH), 7.23-7.43 (m, 15H, Trt) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | Stage #1: for 2 h; Stage #2: With sodium acetate; sodium hydroxide In diethyl ether; water at 0℃; |
Triphenylmethanol (3.3 g, 12.7 mmol) was added to a solution of Cysteine chlorydrate (2 g, 12.7 mmol) in TFA (25 mL) and the mixture was stirred for 2 h. After cooling to 0 °C, NaOH 4N and diethyl ether (40 mL) were added until pH 4-5 and then 10percent sodium acetate aqueous solution was added until pH 5-6. The precipitated obtained was filtered, washed with fresh Et2O and finally dried to obtain the desired product (5 g, 98percent yield).1H NMR (DMSO): δ (ppm) 2.35-2.61 (m, 2H, CH2); 2.85-2.98 (m, 1H, CH); 7.2-7.45 (m, 15H, trityl-H).MALDI-TOF MS: m/z364.7 Da [M + H]+, C22H21NO2S, Mol. Wt.: 363.47. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | at 20℃; for 5 h; | To a solution of l-cysteine (1.0 g, 5.69 mmol) in acetic acid (15 mL) was added triphenyl methanol (1.64 g, 6.30 mmol), followed by adding trifluoroboron ethylether (720 μL, 5.69 mmol) dropwise and the reaction was stirred at room temperature. After 5 h, the reaction mixture was neutralized with saturated sodium acetate. The resulting precipitate was washed with ethylether and collected to give the desired compound 3 (1.87 g, 90percent) as a white solid. 1H NMR (300 MHz, acetone-d6): δ = 7.46-7.23 (m, 15H), 3.64 (dd, J = 8.10 Hz, 4.20 Hz, 1H), 2.67-2.52 (m, 2H). 13C NMR (75 MHz, DMSO-d6): δ = 169.89, 144.42, 129.25, 128.11, 126.78, 65.95, 53.64, 34.39. MALDI-TOF-MS: Calcd for C22H20NO2S 362.1. Found 362.1 [M-H]-. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | at 50℃; for 2 h; | (S)-5-amino-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoic acid 2 (11.20 g, 40.00 mmol), triphenylmethanol (20.80 g, 80.00 mmol), Ac2O (7.50 mL, 80.00 mmol) and conc. H2SO4 was stirred in glacial acetic acid (120 mL), then rise to 50 °C. After 2 h the reaction mixture was poured into ice (800 g) resulting in a white precipitate. The precipitate was filtered off and redissolved in ethyl acetate (600 mL), washed with H2O (3 × 200 mL), dried over Na2SO4, and filtered and concentrated. A white solid 3(14.70 g, 70percent) was crystallization from ethyl acetate/petroleum ether. |
[ 6301-54-8 ]
2-(Naphthalen-1-yl)propan-2-ol
Similarity: 0.94
[ 62668-02-4 ]
(E)-1,3-Diphenylprop-2-en-1-ol
Similarity: 0.90
[ 15914-84-8 ]
(S)-1-(Naphthalen-1-yl)ethanol
Similarity: 0.87
[ 6301-54-8 ]
2-(Naphthalen-1-yl)propan-2-ol
Similarity: 0.94
[ 62668-02-4 ]
(E)-1,3-Diphenylprop-2-en-1-ol
Similarity: 0.90
[ 15914-84-8 ]
(S)-1-(Naphthalen-1-yl)ethanol
Similarity: 0.87