2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)acetic acid

Base Information

Chemical Name:2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)acetic acid
CAS No.:194019-65-3
Molecular Formula:C₉H₁₇NO₂
Molecular Weight:171.239
Hs Code.:
DSSTox Substance ID:DTXSID40448341
Wikidata:Q82267310
Mol file:194019-65-3.mol

Synonyms:194019-65-3;2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)acetic acid;2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid;3-Pyrrolidineaceticacid,4-(1-methylethyl)-,(3R-trans)-(9CI);CTK0H1503;DTXSID40448341;2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)aceticacid

Suppliers and Price of 2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)acetic acid

Chemical Property:

Boiling Point:293.6±13.0 °C(Predicted)
PKA:4.43±0.10(Predicted)
PSA：49.33000
Density:1.012±0.06 g/cm3(Predicted)
LogP:1.28150
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:171.125928785
Heavy Atom Count:12
Complexity:168

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1CNCC1CC(=O)O
Isomeric SMILES:CC(C)[C@H]1CNC[C@@H]1CC(=O)O

Technology Process of 2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)acetic acid

There total 8 articles about 2-((3R,4R)-4-Isopropylpyrrolidin-3-yl)acetic acid 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: 85.0%

: 194019-64-2
[(3R,4R)-4-Isopropyl-1-(toluene-4-sulfonyl)-pyrrolidin-3-yl]-acetonitrile

: 194019-65-3
((3R,4R)-4-Isopropyl-pyrrolidin-3-yl)-acetic acid

Guidance literature:: With Dowex 50W-X₈ resin; hydrogen bromide; In dichloromethane; water; for 18h; Heating;

Reference yield:

: 194019-50-6
1(R),4(R,S),5(S)-7-benzyl-4-hydroxy-4-methyl-3-(1-phenylethenyl)-3,7-diazabicyclo[3.3.0]octan-2-one

: 194019-65-3
((3R,4R)-4-Isopropyl-pyrrolidin-3-yl)-acetic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 70.1 percent / NaN(SiMe₃)2 / tetrahydrofuran / 24 h / Ambient temperature

2: 99.4 percent / DMAP / tetrahydrofuran / 20 h / Ambient temperature

3: 58.4 percent / 1N LiBHEt₃ / tetrahydrofuran / 18 h

4: 1.) H₂, 2.) pyridine / 1.) 20percent Pd(OH)2 on carbon, EtOH, RT, 18 h, 2.) RT, 22 h

5: 96.4 percent / dimethylsulfoxide / 22.3 h / Ambient temperature

6: 85 percent / 1.) 48percent HBr, 2.) Dowex 50W-X₈ resin / CH₂Cl₂; H₂O / 18 h / Heating

With pyridine; dmap; Dowex 50W-X₈ resin; hydrogen bromide; hydrogen; sodium hexamethyldisilazane; lithium triethylborohydride; In tetrahydrofuran; dichloromethane; water; dimethyl sulfoxide;

Reference yield:

: 143140-13-0
(3S,5aR,8aS,8bR)-7-Benzyl-8b-methyl-3-phenyl-octahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-b]oxazol-5-one

: 194019-65-3
((3R,4R)-4-Isopropyl-pyrrolidin-3-yl)-acetic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 62 percent / 1.6M methyllithium / tetrahydrofuran; diethyl ether / 0.83 h / -10 °C

2: 70.1 percent / NaN(SiMe₃)2 / tetrahydrofuran / 24 h / Ambient temperature

3: 99.4 percent / DMAP / tetrahydrofuran / 20 h / Ambient temperature

4: 58.4 percent / 1N LiBHEt₃ / tetrahydrofuran / 18 h

5: 1.) H₂, 2.) pyridine / 1.) 20percent Pd(OH)2 on carbon, EtOH, RT, 18 h, 2.) RT, 22 h

6: 96.4 percent / dimethylsulfoxide / 22.3 h / Ambient temperature

7: 85 percent / 1.) 48percent HBr, 2.) Dowex 50W-X₈ resin / CH₂Cl₂; H₂O / 18 h / Heating

With pyridine; dmap; Dowex 50W-X₈ resin; hydrogen bromide; methyllithium; hydrogen; sodium hexamethyldisilazane; lithium triethylborohydride; In tetrahydrofuran; diethyl ether; dichloromethane; water; dimethyl sulfoxide;