Portulal

Base Information

• Chemical Name: Portulal
• CAS No.: 22571-65-9
• Molecular Formula: C₂₀H₃₂O₄
• Molecular Weight: 336.472
• DSSTox Substance ID: DTXSID101100359
• Nikkaji Number: J16.348A
• Wikidata: Q27108052
• Mol file: 22571-65-9.mol

Synonyms:Portulal;22571-65-9;CHEBI:8343;DTXSID101100359;C09175;Q27108052;(1R,2R,3aS,8aR)-2,3,4,7,8,8a-Hexahydro-1-[(3Z)-5-hydroxy-3-(hydroxymethyl)-3-penten-1-yl]-1-(hydroxymethyl)-2,5-dimethyl-3a(1H)-azulenecarboxaldehyde

Chemical Property of Portulal

Chemical Property:

• Vapor Pressure: 4.52E-12mmHg at 25°C
• Boiling Point: 499.5°Cat760mmHg
• Flash Point: 270°C
• PSA: 77.76000
• Density: 1.121g/cm³
• LogP: 2.62780
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 336.23005950
• Heavy Atom Count: 24
• Complexity: 510

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(CC(=CCCC2C1(CCC(=CCO)CO)CO)C)C=O
• Isomeric SMILES: C[C@@H]1C[C@@]2(CC(=CCC[C@@H]2[C@]1(CC/C(=C/CO)/CO)CO)C)C=O

Technology Process of Portulal

There total 27 articles about Portulal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C16H22O3 (77912-72-2) → synthetic portulal (22571-65-9,77982-56-0)

Guidance literature:

Multi-step reaction with 7 steps

1: 100 percent / TsOH / benzene / 4 h / Heating

2: 1.) n-BuLi, 2.) sodium bis<2-methoxy-ethoxy>aluminum hydride (SMEAH) / 1.) ether, hexane, -20 deg C, 1 hr, 2.) ether, -20 deg C, 1 hr

3: pyridine / Ambient temperature

4: 44 percent / Li in liquid NH₃ / tetrahydrofuran / 1 h / 1.) -70 deg C, 2.) -70 deg C - (-)50 deg C, 1 hr

5: 1.) O₂, Rose-Bengal, 2.) sodium bis<2-methoxy-ethoxy>aluminum hydride (SMEAH) / 1.) MeOH, irradiation, 30 min, 2.) THF, ice-cooling, 1.5 hr

6: pyridine / 18 h / Ambient temperature

7: 1.) 6percent HCl, 2.) 0.5 N NaOH / 1.) acetone, RT, 2 hr, 2.) MeOH, RT, 18 hr

With hydrogenchloride; sodium hydroxide; n-butyllithium; ammonia; oxygen; rose bengal; lithium; toluene-4-sulfonic acid; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; pyridine; benzene;

DOI:10.1016/0040-4020(80)80188-8

Reference yield:

C17H24O3 (54878-16-9,77982-46-8) → synthetic portulal (22571-65-9,77982-56-0)

Guidance literature:

Multi-step reaction with 20 steps

1: 100 percent / TsOH / 72 h / Heating

2: RuO₂, aq NaIO₄ / CCl₄; acetic acid / 120 h / Ambient temperature

3: diethyl ether

4: 2 N NaOH / ethanol / Heating

5: Pb(OAc)4, Cu(OAc)2 / benzene; pyridine / Heating

6: sodium bis<2-methoxy-ethoxy>aluminum hydride (SMEAH) / toluene; ethanol; benzene / 2.5 h / ice-cold temp; prep. of modified reagent

7: TsOH / CH₂Cl₂ / 1.5 h / Ambient temperature

8: LAH / tetrahydrofuran / 2.5 h / Ambient temperature

9: TsOH / CH₂Cl₂ / 1.5 h / Ambient temperature

10: t-BuOK / dimethylsulfoxide / 7 h / 110 °C

11: HCl / acetone; H₂O

12: 71 percent / Ag₂O / methanol / Ambient temperature; prep. of reagent

13: 69 percent / CrO₃*pyridine (Collins' reagent) / CH₂Cl₂ / 0.67 h / Ambient temperature

14: 100 percent / TsOH / benzene / 4 h / Heating

15: 1.) n-BuLi, 2.) sodium bis<2-methoxy-ethoxy>aluminum hydride (SMEAH) / 1.) ether, hexane, -20 deg C, 1 hr, 2.) ether, -20 deg C, 1 hr

16: pyridine / Ambient temperature

17: 44 percent / Li in liquid NH₃ / tetrahydrofuran / 1 h / 1.) -70 deg C, 2.) -70 deg C - (-)50 deg C, 1 hr

18: 1.) O₂, Rose-Bengal, 2.) sodium bis<2-methoxy-ethoxy>aluminum hydride (SMEAH) / 1.) MeOH, irradiation, 30 min, 2.) THF, ice-cooling, 1.5 hr

19: pyridine / 18 h / Ambient temperature

20: 1.) 6percent HCl, 2.) 0.5 N NaOH / 1.) acetone, RT, 2 hr, 2.) MeOH, RT, 18 hr

With lead(IV) acetate; hydrogenchloride; ruthenium(IV) oxide; sodium hydroxide; sodium periodate; lithium aluminium tetrahydride; n-butyllithium; copper diacetate; potassium tert-butylate; ammonia; oxygen; rose bengal; lithium; dipyridine chromium trioxide; toluene-4-sulfonic acid; sodium bis(2-methoxyethoxy)aluminium dihydride; silver(l) oxide; In tetrahydrofuran; pyridine; methanol; tetrachloromethane; diethyl ether; ethanol; dichloromethane; water; acetic acid; dimethyl sulfoxide; acetone; toluene; benzene;

DOI:10.1016/0040-4020(80)80188-8

Reference yield:

C17H26O4 (59805-36-6,77982-52-6,77982-57-1) → synthetic portulal (22571-65-9,77982-56-0)

Guidance literature:

Multi-step reaction with 14 steps

1: TsOH / CH₂Cl₂ / 1.5 h / Ambient temperature

2: LAH / tetrahydrofuran / 2.5 h / Ambient temperature

3: TsOH / CH₂Cl₂ / 1.5 h / Ambient temperature

4: t-BuOK / dimethylsulfoxide / 7 h / 110 °C

5: HCl / acetone; H₂O

6: 71 percent / Ag₂O / methanol / Ambient temperature; prep. of reagent

7: 69 percent / CrO₃*pyridine (Collins' reagent) / CH₂Cl₂ / 0.67 h / Ambient temperature

8: 100 percent / TsOH / benzene / 4 h / Heating

9: 1.) n-BuLi, 2.) sodium bis<2-methoxy-ethoxy>aluminum hydride (SMEAH) / 1.) ether, hexane, -20 deg C, 1 hr, 2.) ether, -20 deg C, 1 hr

10: pyridine / Ambient temperature

11: 44 percent / Li in liquid NH₃ / tetrahydrofuran / 1 h / 1.) -70 deg C, 2.) -70 deg C - (-)50 deg C, 1 hr

12: 1.) O₂, Rose-Bengal, 2.) sodium bis<2-methoxy-ethoxy>aluminum hydride (SMEAH) / 1.) MeOH, irradiation, 30 min, 2.) THF, ice-cooling, 1.5 hr

13: pyridine / 18 h / Ambient temperature

14: 1.) 6percent HCl, 2.) 0.5 N NaOH / 1.) acetone, RT, 2 hr, 2.) MeOH, RT, 18 hr

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; n-butyllithium; potassium tert-butylate; ammonia; oxygen; rose bengal; lithium; dipyridine chromium trioxide; toluene-4-sulfonic acid; sodium bis(2-methoxyethoxy)aluminium dihydride; silver(l) oxide; In tetrahydrofuran; pyridine; methanol; dichloromethane; water; dimethyl sulfoxide; acetone; benzene;

DOI:10.1016/0040-4020(80)80188-8

upstream raw materials:

C₁₆H₂₂O₃

C₁₇H₂₄O₃

C₁₇H₂₆O₄

C₁₇H₂₄O₄

Downstream raw materials:

portulol

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